smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@H+]1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096092303 185095635 /nfs/dbraw/zinc/09/56/35/185095635.db2.gz RFSPAACZBLOUDH-OAGGEKHMSA-N 1 1 274.364 2.016 10 30 CEEEMO C#CC[N@H+](CCC)[C@@H]1COc2c(cccc2OC)C1 ZINC000038600308 343434262 /nfs/dbraw/zinc/43/42/62/343434262.db2.gz JHYWERUDKHLBRS-AWEZNQCLSA-N 1 1 259.349 2.344 10 30 CEEEMO C=CCC[C@H](O)C[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000128210709 187357499 /nfs/dbraw/zinc/35/74/99/187357499.db2.gz QLUCCUQXUPMORD-ZDUSSCGKSA-N 1 1 277.412 2.229 10 30 CEEEMO C=CCC[C@H](O)C[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000128210709 187357501 /nfs/dbraw/zinc/35/75/01/187357501.db2.gz QLUCCUQXUPMORD-ZDUSSCGKSA-N 1 1 277.412 2.229 10 30 CEEEMO Cc1cc(C#N)ccc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000165496217 344474499 /nfs/dbraw/zinc/47/44/99/344474499.db2.gz ADKWPKIWAZJPEH-MRXNPFEDSA-N 1 1 255.365 2.147 10 30 CEEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)c(F)c1 ZINC000052759561 362472578 /nfs/dbraw/zinc/47/25/78/362472578.db2.gz WNSANQANSFWLFL-CQSZACIVSA-N 1 1 262.328 2.434 10 30 CEEEMO O=C1C=C(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000307042097 344719615 /nfs/dbraw/zinc/71/96/15/344719615.db2.gz ARPPKNIWPMEUKY-HNNXBMFYSA-N 1 1 256.349 2.097 10 30 CEEEMO Cc1nc(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)ccc1C#N ZINC000336836469 365905746 /nfs/dbraw/zinc/90/57/46/365905746.db2.gz KVRJHRNSJPERIC-SWLSCSKDSA-N 1 1 270.380 2.325 10 30 CEEEMO CC(C)(C)n1cc(CN2CC[NH+](CCCC#N)CC2)cn1 ZINC000105866090 186080461 /nfs/dbraw/zinc/08/04/61/186080461.db2.gz KZCRZQNNCBVJBJ-UHFFFAOYSA-N 1 1 289.427 2.059 10 30 CEEEMO C=CCn1c[nH+]c(-c2ccc(OC)c(OC)c2OC)c1N ZINC000106832181 186137875 /nfs/dbraw/zinc/13/78/75/186137875.db2.gz DTVWIHJAMVTYIQ-UHFFFAOYSA-N 1 1 289.335 2.344 10 30 CEEEMO C#CCn1c(N)c(-c2ccc(OC)cc2OC)[nH+]c1CC ZINC000106834147 186139168 /nfs/dbraw/zinc/13/91/68/186139168.db2.gz UGGNBKMTYJLKRY-UHFFFAOYSA-N 1 1 285.347 2.345 10 30 CEEEMO C#CC[NH2+]CC(=O)Nc1c2ncsc2ccc1Cl ZINC000092492321 180396765 /nfs/dbraw/zinc/39/67/65/180396765.db2.gz IDYSIWLDWVHZKF-UHFFFAOYSA-N 1 1 279.752 2.111 10 30 CEEEMO CC(C)N[C@](C)(C#N)CCCC[N@H+](C)CCCN(C)C ZINC000111144237 186359619 /nfs/dbraw/zinc/35/96/19/186359619.db2.gz QIYHIJXDVNZFAL-INIZCTEOSA-N 1 1 282.476 2.320 10 30 CEEEMO CC(C)N[C@](C)(C#N)CCCC[N@@H+](C)CCCN(C)C ZINC000111144237 186359620 /nfs/dbraw/zinc/35/96/20/186359620.db2.gz QIYHIJXDVNZFAL-INIZCTEOSA-N 1 1 282.476 2.320 10 30 CEEEMO C[N@H+](Cc1ccc(F)cc1C#CCO)C[C@H]1CCCOC1 ZINC000111168282 186364539 /nfs/dbraw/zinc/36/45/39/186364539.db2.gz UXUGXOJMHKYYBO-CQSZACIVSA-N 1 1 291.366 2.028 10 30 CEEEMO C=CCC[C@@H](C[N@H+]1CCCOCC1)Oc1ncc(F)cn1 ZINC000072432151 363136354 /nfs/dbraw/zinc/13/63/54/363136354.db2.gz MEFAKQHNFHZGJU-AWEZNQCLSA-N 1 1 295.358 2.052 10 30 CEEEMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000132305341 366133410 /nfs/dbraw/zinc/13/34/10/366133410.db2.gz AOUQOTYJJDIDNJ-UONOGXRCSA-N 1 1 298.427 2.303 10 30 CEEEMO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000133536849 366234376 /nfs/dbraw/zinc/23/43/76/366234376.db2.gz ZWHSHYDGMNVFJT-UKRRQHHQSA-N 1 1 262.397 2.450 10 30 CEEEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc(C#N)cs2)[C@@H](C)C1 ZINC000177140300 189031628 /nfs/dbraw/zinc/03/16/28/189031628.db2.gz IJPOYWPZPGMLLN-JQWIXIFHSA-N 1 1 277.393 2.078 10 30 CEEEMO C#CCCOc1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000179548625 189201900 /nfs/dbraw/zinc/20/19/00/189201900.db2.gz FXDWMCUAQHTRCH-QGZVFWFLSA-N 1 1 284.403 2.369 10 30 CEEEMO C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cccc(C#N)c1 ZINC000181559981 189300028 /nfs/dbraw/zinc/30/00/28/189300028.db2.gz XUBYKWGFRLFNPK-PBHICJAKSA-N 1 1 287.407 2.056 10 30 CEEEMO C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000572111799 299346856 /nfs/dbraw/zinc/34/68/56/299346856.db2.gz SPPIMRIIGNUSJD-RISCZKNCSA-N 1 1 261.344 2.175 10 30 CEEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cn2ccccc2c1C#N ZINC000113271662 364882323 /nfs/dbraw/zinc/88/23/23/364882323.db2.gz MYFVPKYKAAOQBS-GDBMZVCRSA-N 1 1 294.402 2.479 10 30 CEEEMO C=CC[N@@H+]1CC[C@@]23c4c5cccc4C[C@@H]1[C@@H]2CC[C@@H](O)[C@@H]3O5 ZINC000169320074 367367863 /nfs/dbraw/zinc/36/78/63/367367863.db2.gz UQHMADSHOZZBSR-KPHNSTPASA-N 1 1 297.398 2.273 10 30 CEEEMO C=CCCC[C@H](C)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245939488 370891485 /nfs/dbraw/zinc/89/14/85/370891485.db2.gz UOHKPAFKTXWBFI-KBPBESRZSA-N 1 1 265.401 2.221 10 30 CEEEMO CCOCCN1CC[N@@H+](CCCSCC#N)C[C@@H]1CC ZINC000173885476 367954246 /nfs/dbraw/zinc/95/42/46/367954246.db2.gz RZNFVUYYQLSXOH-HNNXBMFYSA-N 1 1 299.484 2.066 10 30 CEEEMO CCOCC[N@@H+]1CCN(CCCSCC#N)C[C@@H]1CC ZINC000173885476 367954253 /nfs/dbraw/zinc/95/42/53/367954253.db2.gz RZNFVUYYQLSXOH-HNNXBMFYSA-N 1 1 299.484 2.066 10 30 CEEEMO CCOCC[N@H+]1CCN(CCCSCC#N)C[C@@H]1CC ZINC000173885476 367954259 /nfs/dbraw/zinc/95/42/59/367954259.db2.gz RZNFVUYYQLSXOH-HNNXBMFYSA-N 1 1 299.484 2.066 10 30 CEEEMO C=CCSCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246479011 370966382 /nfs/dbraw/zinc/96/63/82/370966382.db2.gz VRNLQVFMYRHYLN-KGLIPLIRSA-N 1 1 297.468 2.174 10 30 CEEEMO C=CCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190617194 369639134 /nfs/dbraw/zinc/63/91/34/369639134.db2.gz XXVSZKKXEORMJW-INIZCTEOSA-N 1 1 287.407 2.328 10 30 CEEEMO CCCC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000191981907 369759398 /nfs/dbraw/zinc/75/93/98/369759398.db2.gz NUPGCQPJFLBWTQ-KRWDZBQOSA-N 1 1 284.403 2.419 10 30 CEEEMO CCCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000191981907 369759404 /nfs/dbraw/zinc/75/94/04/369759404.db2.gz NUPGCQPJFLBWTQ-KRWDZBQOSA-N 1 1 284.403 2.419 10 30 CEEEMO C#CCCCC(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000192114535 369773765 /nfs/dbraw/zinc/77/37/65/369773765.db2.gz GFDKDXYFZROPRS-AWEZNQCLSA-N 1 1 273.380 2.413 10 30 CEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(C#N)cc1 ZINC000246895112 371027703 /nfs/dbraw/zinc/02/77/03/371027703.db2.gz HBRFFPOFIAGXMA-SJORKVTESA-N 1 1 297.402 2.186 10 30 CEEEMO C=CCC[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000246922400 371032144 /nfs/dbraw/zinc/03/21/44/371032144.db2.gz YMCYONLLLIRLDP-HEHGZKQESA-N 1 1 297.345 2.400 10 30 CEEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000247406629 371104905 /nfs/dbraw/zinc/10/49/05/371104905.db2.gz PVKFQEWTDCUKCK-WFASDCNBSA-N 1 1 273.355 2.366 10 30 CEEEMO Cc1occc1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000328624024 376864290 /nfs/dbraw/zinc/86/42/90/376864290.db2.gz JPJPHWURXMNCPO-NSHDSACASA-N 1 1 259.309 2.352 10 30 CEEEMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000036097792 394494632 /nfs/dbraw/zinc/49/46/32/394494632.db2.gz LPFMGLHYKNAONX-CQSZACIVSA-N 1 1 265.353 2.116 10 30 CEEEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000048769489 394528867 /nfs/dbraw/zinc/52/88/67/394528867.db2.gz JIBKJAFTVNGVIW-CQSZACIVSA-N 1 1 272.352 2.164 10 30 CEEEMO CC[C@H]1C[N@H+](Cc2cc(C#CCCO)cs2)CCO1 ZINC000043698611 175096993 /nfs/dbraw/zinc/09/69/93/175096993.db2.gz VHQAGBBCSSGKHP-AWEZNQCLSA-N 1 1 279.405 2.093 10 30 CEEEMO CC[C@H]1C[N@@H+](Cc2cc(C#CCCO)cs2)CCO1 ZINC000043698611 175096994 /nfs/dbraw/zinc/09/69/94/175096994.db2.gz VHQAGBBCSSGKHP-AWEZNQCLSA-N 1 1 279.405 2.093 10 30 CEEEMO CC(C)[N@@H+](CCCc1ccccc1)CC/C(N)=N/O ZINC000044414960 175173052 /nfs/dbraw/zinc/17/30/52/175173052.db2.gz IQHQJWUMFDMLRI-UHFFFAOYSA-N 1 1 263.385 2.466 10 30 CEEEMO CC(C)c1[nH+]ccn1C[C@](N)(C#N)c1ccccc1 ZINC000045183471 175326369 /nfs/dbraw/zinc/32/63/69/175326369.db2.gz AVWMYXAYOFWIMY-OAHLLOKOSA-N 1 1 254.337 2.384 10 30 CEEEMO C[C@@]([NH3+])(C#N)CCSc1ncnc2ccccc21 ZINC000045220278 175330132 /nfs/dbraw/zinc/33/01/32/175330132.db2.gz QAXKETALPYFNKH-ZDUSSCGKSA-N 1 1 258.350 2.353 10 30 CEEEMO CCCN1CC[NH+](CCC[C@](C)(C#N)NC(C)C)CC1 ZINC000045306448 175355775 /nfs/dbraw/zinc/35/57/75/175355775.db2.gz XQGORJLFEKYHLH-MRXNPFEDSA-N 1 1 280.460 2.074 10 30 CEEEMO CCCN[C@@](C)(C#N)CCCC[N@H+]1CCOC[C@@H]1C ZINC000045310446 175356347 /nfs/dbraw/zinc/35/63/47/175356347.db2.gz KGXDAJQOXBFTIN-LSDHHAIUSA-N 1 1 267.417 2.159 10 30 CEEEMO CN1CCC([N@@H+](C)CCCC[C@](C)(C#N)NC2CC2)CC1 ZINC000045307923 175356574 /nfs/dbraw/zinc/35/65/74/175356574.db2.gz FMKQTLLYSGNUIF-QGZVFWFLSA-N 1 1 292.471 2.217 10 30 CEEEMO CCN[C@](C)(C#N)CCC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000045315117 175357603 /nfs/dbraw/zinc/35/76/03/175357603.db2.gz RTZGCXPBRLFCMD-GJZGRUSLSA-N 1 1 267.417 2.159 10 30 CEEEMO CCCN[C@](C)(C#N)CCC[N@H+]1CCOCC1(C)C ZINC000045317528 175357715 /nfs/dbraw/zinc/35/77/15/175357715.db2.gz WDHBPLLIMWEVDI-HNNXBMFYSA-N 1 1 267.417 2.159 10 30 CEEEMO C[C@@]([NH3+])(C#N)CCCCn1cc(Br)cn1 ZINC000045322315 175359956 /nfs/dbraw/zinc/35/99/56/175359956.db2.gz CLIURUIPNXBSIC-JTQLQIEISA-N 1 1 271.162 2.057 10 30 CEEEMO C[C@@]([NH3+])(C#N)CCCOc1ccc([N+](=O)[O-])cc1F ZINC000045331619 175360357 /nfs/dbraw/zinc/36/03/57/175360357.db2.gz WXPCNXHMLIUHHL-LBPRGKRZSA-N 1 1 267.260 2.134 10 30 CEEEMO C#CCOc1ccc(Cl)cc1CNCC[NH+](C)C ZINC000045946502 175387930 /nfs/dbraw/zinc/38/79/30/175387930.db2.gz FLMYGYGPWRPWLQ-UHFFFAOYSA-N 1 1 266.772 2.003 10 30 CEEEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C#N)C1 ZINC000247483867 280331096 /nfs/dbraw/zinc/33/10/96/280331096.db2.gz WIJXAYHDDOSZQM-ZYHUDNBSSA-N 1 1 277.393 2.078 10 30 CEEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246394683 290221742 /nfs/dbraw/zinc/22/17/42/290221742.db2.gz JBTQQHXEGHDWOE-IIDMSEBBSA-N 1 1 299.418 2.272 10 30 CEEEMO C=CCC(CC=C)C(=O)N1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000150726999 327365554 /nfs/dbraw/zinc/36/55/54/327365554.db2.gz XJLPPEJLWRWUGY-HNNXBMFYSA-N 1 1 294.439 2.324 10 30 CEEEMO C=CCC(CC=C)C(=O)N1CC[N@H+](CCOCC)[C@@H](C)C1 ZINC000150726999 327365555 /nfs/dbraw/zinc/36/55/55/327365555.db2.gz XJLPPEJLWRWUGY-HNNXBMFYSA-N 1 1 294.439 2.324 10 30 CEEEMO CCC(C)(C)[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000069446189 521299770 /nfs/dbraw/zinc/29/97/70/521299770.db2.gz GOURKMZRIUVTCV-UHFFFAOYSA-N 1 1 274.408 2.496 10 30 CEEEMO CN(Cc1ccc(F)cc1C#N)CC1CC[NH2+]CC1 ZINC000094024354 517934889 /nfs/dbraw/zinc/93/48/89/517934889.db2.gz DIMUXWBXWVDQJV-UHFFFAOYSA-N 1 1 261.344 2.129 10 30 CEEEMO CCN[C@@](C)(C#N)CCCC[N@H+]1CCC[C@@H]1CN(C)C ZINC000061652800 520127804 /nfs/dbraw/zinc/12/78/04/520127804.db2.gz JJPOTLMXFKRTRY-HZPDHXFCSA-N 1 1 280.460 2.074 10 30 CEEEMO CCN[C@@](C)(C#N)CCCCN1CCC[C@@H]1C[NH+](C)C ZINC000061652800 520127812 /nfs/dbraw/zinc/12/78/12/520127812.db2.gz JJPOTLMXFKRTRY-HZPDHXFCSA-N 1 1 280.460 2.074 10 30 CEEEMO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000232617065 629765565 /nfs/dbraw/zinc/76/55/65/629765565.db2.gz PVXQAZBVOBVDQA-ZDUSSCGKSA-N 1 1 260.312 2.498 10 30 CEEEMO CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000232617065 629765568 /nfs/dbraw/zinc/76/55/68/629765568.db2.gz PVXQAZBVOBVDQA-ZDUSSCGKSA-N 1 1 260.312 2.498 10 30 CEEEMO C#C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000185987839 642054924 /nfs/dbraw/zinc/05/49/24/642054924.db2.gz BGGVQTDJWDJCLX-NVXWUHKLSA-N 1 1 299.418 2.362 10 30 CEEEMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128604556 365797370 /nfs/dbraw/zinc/79/73/70/365797370.db2.gz JBYJPICXGXZQRX-CQSZACIVSA-N 1 1 275.400 2.320 10 30 CEEEMO CCC(C#N)(CC)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251387593 344636109 /nfs/dbraw/zinc/63/61/09/344636109.db2.gz VJUKUWNMYQHWCW-KGLIPLIRSA-N 1 1 277.412 2.402 10 30 CEEEMO C#CCC[N@H+]1C[C@H](Cc2ccccc2)NC[C@H]1CC ZINC000086176218 179246618 /nfs/dbraw/zinc/24/66/18/179246618.db2.gz QPFYUSLFTHNQMA-DLBZAZTESA-N 1 1 256.393 2.305 10 30 CEEEMO C#CCC[N@@H+]1C[C@H](Cc2ccccc2)NC[C@H]1CC ZINC000086176218 179246619 /nfs/dbraw/zinc/24/66/19/179246619.db2.gz QPFYUSLFTHNQMA-DLBZAZTESA-N 1 1 256.393 2.305 10 30 CEEEMO C=CCn1c[nH+]c(-c2cc(OC)c(OC)cc2OC)c1N ZINC000106832196 186138326 /nfs/dbraw/zinc/13/83/26/186138326.db2.gz KXSGFVBYANJYKH-UHFFFAOYSA-N 1 1 289.335 2.344 10 30 CEEEMO CC[N@@H+]1CCN(C(=O)C2(C#N)CCCCCC2)C[C@@H]1C ZINC000110748704 186320573 /nfs/dbraw/zinc/32/05/73/186320573.db2.gz 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C[C@@H](c1ccc(C#N)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172398175 287131550 /nfs/dbraw/zinc/13/15/50/287131550.db2.gz MRIGKEFDWDITDG-XJKSGUPXSA-N 1 1 255.365 2.399 10 30 CEEEMO C[N@@H+](Cc1ccsc1)Cc1ccc(/C(N)=N/O)cc1 ZINC000035719257 172373134 /nfs/dbraw/zinc/37/31/34/172373134.db2.gz SPJZGJPBOWJJRY-UHFFFAOYSA-N 1 1 275.377 2.475 10 30 CEEEMO CCN(Cc1sccc1C#CC[NH3+])Cc1ccncc1 ZINC000043683874 175092235 /nfs/dbraw/zinc/09/22/35/175092235.db2.gz PXGNGRRIAPDELI-UHFFFAOYSA-N 1 1 285.416 2.475 10 30 CEEEMO CC(C)[C@H](C#N)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000044809901 175257770 /nfs/dbraw/zinc/25/77/70/175257770.db2.gz ZWKQYPZGBYDISE-KBPBESRZSA-N 1 1 265.401 2.163 10 30 CEEEMO CC[N@@H+](CC[C@@](C)(C#N)NC(C)C)C[C@@H]1CCCO1 ZINC000045182069 175325858 /nfs/dbraw/zinc/32/58/58/175325858.db2.gz ZVQBCPGJBNMKJC-GJZGRUSLSA-N 1 1 267.417 2.158 10 30 CEEEMO CCN[C@@](C)(C#N)CCCC[NH+]1CCN(C(C)C)CC1 ZINC000045311509 175356532 /nfs/dbraw/zinc/35/65/32/175356532.db2.gz CTBDKILOTJFMOT-MRXNPFEDSA-N 1 1 280.460 2.074 10 30 CEEEMO COC[C@H](C)[N@@H+](C)CCC[C@@](C)(C#N)NC(C)C ZINC000045314608 175357441 /nfs/dbraw/zinc/35/74/41/175357441.db2.gz UNRLUINDUSPXIC-KBPBESRZSA-N 1 1 255.406 2.014 10 30 CEEEMO CCCN[C@](C)(C#N)CCC[N@@H+](CC)CCOC ZINC000045316874 175357876 /nfs/dbraw/zinc/35/78/76/175357876.db2.gz DXUUMYISAZZBGN-AWEZNQCLSA-N 1 1 255.406 2.017 10 30 CEEEMO CC(C)N[C@@](C)(C#N)CCC[NH+]1CCN(C(C)(C)C)CC1 ZINC000045318457 175359431 /nfs/dbraw/zinc/35/94/31/175359431.db2.gz YHOJBEUICGLGCJ-QGZVFWFLSA-N 1 1 294.487 2.463 10 30 CEEEMO C[C@]([NH3+])(C#N)CCCCOc1ccc([N+](=O)[O-])cc1 ZINC000045331643 175360044 /nfs/dbraw/zinc/36/00/44/175360044.db2.gz RHQLGUFOKKHLPE-CYBMUJFWSA-N 1 1 263.297 2.385 10 30 CEEEMO C[C@H]1C[N@@H+](Cc2cccc(C#CCCO)c2)CC(C)(C)O1 ZINC000045707262 175382787 /nfs/dbraw/zinc/38/27/87/175382787.db2.gz LEHKHROYAIOQCV-HNNXBMFYSA-N 1 1 287.403 2.420 10 30 CEEEMO Cc1c(C)n(CC[N@H+](C)C2CCCC2)c(N)c1C#N ZINC000071378888 176143542 /nfs/dbraw/zinc/14/35/42/176143542.db2.gz AEADCQXYRPDODR-UHFFFAOYSA-N 1 1 260.385 2.433 10 30 CEEEMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cnn2ccncc12 ZINC000329271499 227397795 /nfs/dbraw/zinc/39/77/95/227397795.db2.gz ICSOMQQKWZYQFQ-LBPRGKRZSA-N 1 1 299.378 2.051 10 30 CEEEMO CCOCCN1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1C ZINC000174849360 261199690 /nfs/dbraw/zinc/19/96/90/261199690.db2.gz LUGVHKPNSDPDDC-HNNXBMFYSA-N 1 1 281.444 2.359 10 30 CEEEMO CCOCC[N@@H+]1CCN(CCCC(C)(C)C#N)C[C@@H]1C ZINC000174849360 261199693 /nfs/dbraw/zinc/19/96/93/261199693.db2.gz LUGVHKPNSDPDDC-HNNXBMFYSA-N 1 1 281.444 2.359 10 30 CEEEMO CCOCC[N@H+]1CCN(CCCC(C)(C)C#N)C[C@@H]1C ZINC000174849360 261199694 /nfs/dbraw/zinc/19/96/94/261199694.db2.gz LUGVHKPNSDPDDC-HNNXBMFYSA-N 1 1 281.444 2.359 10 30 CEEEMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179471372 329208780 /nfs/dbraw/zinc/20/87/80/329208780.db2.gz MSEWLBHMHSVUQD-CYBMUJFWSA-N 1 1 261.373 2.245 10 30 CEEEMO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nnc2n1CCCC2 ZINC000185843826 329333132 /nfs/dbraw/zinc/33/31/32/329333132.db2.gz VWRCDPDBQNDVGG-AVGNSLFASA-N 1 1 273.384 2.347 10 30 CEEEMO C[N@H+](CCN[C@@H]1CCC[C@@H]1C#N)Cc1ccccc1 ZINC000386745945 336178047 /nfs/dbraw/zinc/17/80/47/336178047.db2.gz ZPOYZFIWYNEOJP-HZPDHXFCSA-N 1 1 257.381 2.400 10 30 CEEEMO C[N@@H+](CCN[C@@H]1CCC[C@@H]1C#N)Cc1ccccc1 ZINC000386745945 336178049 /nfs/dbraw/zinc/17/80/49/336178049.db2.gz ZPOYZFIWYNEOJP-HZPDHXFCSA-N 1 1 257.381 2.400 10 30 CEEEMO CCN[C@](C)(C#N)C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000068613012 520225182 /nfs/dbraw/zinc/22/51/82/520225182.db2.gz KXIDTVWWRAATRQ-YCPHGPKFSA-N 1 1 281.444 2.404 10 30 CEEEMO CC[N@H+](Cc1ccc(C#CCO)cc1F)CC1CC1 ZINC000069239027 521299166 /nfs/dbraw/zinc/29/91/66/521299166.db2.gz BLDUQWSFYDLGFV-UHFFFAOYSA-N 1 1 261.340 2.401 10 30 CEEEMO CN(C)C[C@H]1CCC[N@H+]1CCCC[C@](C)(C#N)NC1CC1 ZINC000061652805 521865415 /nfs/dbraw/zinc/86/54/15/521865415.db2.gz YJWXZEUHQKHKPC-IAGOWNOFSA-N 1 1 292.471 2.217 10 30 CEEEMO C[NH+](C)C[C@H]1CCCN1CCCC[C@](C)(C#N)NC1CC1 ZINC000061652805 521865423 /nfs/dbraw/zinc/86/54/23/521865423.db2.gz YJWXZEUHQKHKPC-IAGOWNOFSA-N 1 1 292.471 2.217 10 30 CEEEMO CN(C)c1nc(NCc2ccc(C#N)cc2F)cc[nH+]1 ZINC000068690030 522362314 /nfs/dbraw/zinc/36/23/14/522362314.db2.gz LCGRMDGOVJPBMJ-UHFFFAOYSA-N 1 1 271.299 2.165 10 30 CEEEMO N#CC[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1 ZINC000055017539 526480405 /nfs/dbraw/zinc/48/04/05/526480405.db2.gz NTTOHTPFIQYFQJ-YMAMQOFZSA-N 1 1 271.364 2.275 10 30 CEEEMO N#C[C@@H](CC[N@H+]1CCc2ccccc2C1)NC1CC1 ZINC000062369212 526494814 /nfs/dbraw/zinc/49/48/14/526494814.db2.gz KAFJPHUWPUYKEB-MRXNPFEDSA-N 1 1 255.365 2.079 10 30 CEEEMO N#C[C@H](CC[N@H+]1CCc2ccccc2C1)NC1CC1 ZINC000062369210 526508780 /nfs/dbraw/zinc/50/87/80/526508780.db2.gz KAFJPHUWPUYKEB-INIZCTEOSA-N 1 1 255.365 2.079 10 30 CEEEMO O=CC1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052180053 527139464 /nfs/dbraw/zinc/13/94/64/527139464.db2.gz IMWQMEXZSOTMJK-LSDHHAIUSA-N 1 1 265.397 2.494 10 30 CEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCOc1cccc(C#N)c1 ZINC000175050794 529304791 /nfs/dbraw/zinc/30/47/91/529304791.db2.gz NYHKEKJWBPSVCV-DLBZAZTESA-N 1 1 299.418 2.496 10 30 CEEEMO COc1ccc2c3c1O[C@@H]1CC(=O)C=C[C@@]31CC[N@H+](C)C2 ZINC000033832928 560088244 /nfs/dbraw/zinc/08/82/44/560088244.db2.gz QENVUHCAYXAROT-PBHICJAKSA-N 1 1 285.343 2.059 10 30 biogenic,in-vitro CEEEMO Cc1nn([C@@H](C)C[C@@](C)([NH3+])C#N)c(C)c1Br ZINC000082795342 178300021 /nfs/dbraw/zinc/30/00/21/178300021.db2.gz MPHLPHOZRWNYKJ-WRWORJQWSA-N 1 1 285.189 2.455 10 30 CEEEMO C#CCOC[C@H](O)C[N@H+](CCC)Cc1ccc(F)cc1 ZINC000036095505 361827757 /nfs/dbraw/zinc/82/77/57/361827757.db2.gz BOFJEWXFJGWRGB-MRXNPFEDSA-N 1 1 279.355 2.048 10 30 CEEEMO N#Cc1cc2c(nc1N)CC[N@@H+](Cc1ccccc1)C2 ZINC000139884246 344396413 /nfs/dbraw/zinc/39/64/13/344396413.db2.gz YERZZTVLTXATEN-UHFFFAOYSA-N 1 1 264.332 2.094 10 30 CEEEMO N#Cc1cc2c(nc1N)CC[N@H+](Cc1ccccc1)C2 ZINC000139884246 344396416 /nfs/dbraw/zinc/39/64/16/344396416.db2.gz YERZZTVLTXATEN-UHFFFAOYSA-N 1 1 264.332 2.094 10 30 CEEEMO Cc1cccc([NH+]=C([O-])N(C)C[C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000328645421 344758135 /nfs/dbraw/zinc/75/81/35/344758135.db2.gz ZQKJKODDTIPZJT-ZDUSSCGKSA-N 1 1 299.378 2.326 10 30 CEEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000061892412 362697471 /nfs/dbraw/zinc/69/74/71/362697471.db2.gz ITCJPOSQFVZPAH-SMDDNHRTSA-N 1 1 267.336 2.254 10 30 CEEEMO C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1nncn1C ZINC000086037004 179221154 /nfs/dbraw/zinc/22/11/54/179221154.db2.gz CHQCLSBLRIYILG-YGONEPDPSA-N 1 1 281.363 2.090 10 30 CEEEMO N#C[C@]1([NH3+])CCC[C@H]1CCn1cc(Br)cn1 ZINC000086533546 179306760 /nfs/dbraw/zinc/30/67/60/179306760.db2.gz IQFFNCHPKIZOGC-GXSJLCMTSA-N 1 1 283.173 2.057 10 30 CEEEMO CC[C@@H](CC#N)[NH2+]Cc1sccc1NC(C)=O ZINC000090960632 180075932 /nfs/dbraw/zinc/07/59/32/180075932.db2.gz IGVTWTGCTCPCJQ-JTQLQIEISA-N 1 1 251.355 2.488 10 30 CEEEMO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C#N)(SC)CC1 ZINC000091475492 180166451 /nfs/dbraw/zinc/16/64/51/180166451.db2.gz NZLOVKVOXQHUPG-NWDGAFQWSA-N 1 1 283.441 2.011 10 30 CEEEMO N#C[C@@]1([C@@]2(O)CC[N@H+](C3CC3)C2)CCCc2ccccc21 ZINC000091878848 180278581 /nfs/dbraw/zinc/27/85/81/180278581.db2.gz LNEVBSZVCBXVQM-ZWKOTPCHSA-N 1 1 282.387 2.383 10 30 CEEEMO CC[N@@H+]1CCO[C@@H](COc2c(C)cc(C#N)cc2C)C1 ZINC000092053288 180313078 /nfs/dbraw/zinc/31/30/78/180313078.db2.gz GWVGZZFEDIUUJP-OAHLLOKOSA-N 1 1 274.364 2.275 10 30 CEEEMO CC[N@H+]1CCO[C@@H](COc2c(C)cc(C#N)cc2C)C1 ZINC000092053288 180313080 /nfs/dbraw/zinc/31/30/80/180313080.db2.gz GWVGZZFEDIUUJP-OAHLLOKOSA-N 1 1 274.364 2.275 10 30 CEEEMO C[C@H]([NH3+])C1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000110649291 186310389 /nfs/dbraw/zinc/31/03/89/186310389.db2.gz HDZWWJJMMQBEOM-ZDUSSCGKSA-N 1 1 282.391 2.370 10 30 CEEEMO CCCN[C@@](C)(C#N)CCCC[N@H+](C)CCCN(C)C ZINC000111144232 186358829 /nfs/dbraw/zinc/35/88/29/186358829.db2.gz NTQIEMWWDCEMBO-MRXNPFEDSA-N 1 1 282.476 2.322 10 30 CEEEMO CCCN[C@@](C)(C#N)CCCC[N@@H+](C)CCCN(C)C ZINC000111144232 186358831 /nfs/dbraw/zinc/35/88/31/186358831.db2.gz NTQIEMWWDCEMBO-MRXNPFEDSA-N 1 1 282.476 2.322 10 30 CEEEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)n1 ZINC000121945522 187006189 /nfs/dbraw/zinc/00/61/89/187006189.db2.gz XUPAOLLNAPYWRU-CQSZACIVSA-N 1 1 299.378 2.272 10 30 CEEEMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1C ZINC000271671173 191268750 /nfs/dbraw/zinc/26/87/50/191268750.db2.gz NJASSSDGSJLLDI-NSHDSACASA-N 1 1 269.352 2.100 10 30 CEEEMO C#Cc1cccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000177114063 189030145 /nfs/dbraw/zinc/03/01/45/189030145.db2.gz RRPICIHEAZHDTC-XJKSGUPXSA-N 1 1 283.375 2.368 10 30 CEEEMO C#CC[N@H+](C[C@H](O)COCc1ccccc1)C1CCCC1 ZINC000154947666 366800182 /nfs/dbraw/zinc/80/01/82/366800182.db2.gz LGDGNCDMTIWNBG-SFHVURJKSA-N 1 1 287.403 2.442 10 30 CEEEMO Cn1cc([C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cn1 ZINC000120639735 365454380 /nfs/dbraw/zinc/45/43/80/365454380.db2.gz GYLAWVBIPZKNNU-OAHLLOKOSA-N 1 1 283.350 2.400 10 30 CEEEMO C=CCC1(C(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)CCC1 ZINC000191889887 369751536 /nfs/dbraw/zinc/75/15/36/369751536.db2.gz PSAMBRCSPUQIPC-HNNXBMFYSA-N 1 1 294.439 2.302 10 30 CEEEMO C=CCC1(C(=O)N2CC[N@@H+](CCOC)[C@@H](CC)C2)CCC1 ZINC000191889887 369751542 /nfs/dbraw/zinc/75/15/42/369751542.db2.gz PSAMBRCSPUQIPC-HNNXBMFYSA-N 1 1 294.439 2.302 10 30 CEEEMO C#Cc1cccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000247369484 371098773 /nfs/dbraw/zinc/09/87/73/371098773.db2.gz RRPICIHEAZHDTC-BBRMVZONSA-N 1 1 283.375 2.368 10 30 CEEEMO C[C@H](CC#N)[N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000247619441 371129590 /nfs/dbraw/zinc/12/95/90/371129590.db2.gz NCMABVONXXHKNN-IUODEOHRSA-N 1 1 296.798 2.451 10 30 CEEEMO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000247619441 371129594 /nfs/dbraw/zinc/12/95/94/371129594.db2.gz NCMABVONXXHKNN-IUODEOHRSA-N 1 1 296.798 2.451 10 30 CEEEMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249581629 371341259 /nfs/dbraw/zinc/34/12/59/371341259.db2.gz RHKYPPUZIZBGJJ-SOUVJXGZSA-N 1 1 281.421 2.083 10 30 CEEEMO C[C@@H](CNc1cc(C#N)nc2ccccc21)[NH+]1CCOCC1 ZINC000301357381 379266381 /nfs/dbraw/zinc/26/63/81/379266381.db2.gz PBKYEJGPJZJNPD-ZDUSSCGKSA-N 1 1 296.374 2.239 10 30 CEEEMO CCN[C@]1(C#N)CCC[C@@H]([N@@H+](CCN(C)C)CC(C)C)C1 ZINC000093742896 184711289 /nfs/dbraw/zinc/71/12/89/184711289.db2.gz UNSQLZUBBFFNGJ-IAGOWNOFSA-N 1 1 294.487 2.320 10 30 CEEEMO CCN[C@]1(C#N)CCC[C@@H](N(CC[NH+](C)C)CC(C)C)C1 ZINC000093742896 184711290 /nfs/dbraw/zinc/71/12/90/184711290.db2.gz UNSQLZUBBFFNGJ-IAGOWNOFSA-N 1 1 294.487 2.320 10 30 CEEEMO C[N@@H+](CC1CCOCC1)[C@@H]1CCC[C@@](C#N)(NC2CC2)C1 ZINC000093744119 184712160 /nfs/dbraw/zinc/71/21/60/184712160.db2.gz KJSJLGDOCLTVIT-IAGOWNOFSA-N 1 1 291.439 2.302 10 30 CEEEMO C[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000359672045 394770723 /nfs/dbraw/zinc/77/07/23/394770723.db2.gz JBETWZJMIISCRB-ITGHMWBKSA-N 1 1 263.385 2.056 10 30 CEEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCCCC#N ZINC000179174090 395182278 /nfs/dbraw/zinc/18/22/78/395182278.db2.gz RZDQBJMUGAMSFM-CQSZACIVSA-N 1 1 280.416 2.100 10 30 CEEEMO C[C@H](CC#N)N(C)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000181743381 395222750 /nfs/dbraw/zinc/22/27/50/395222750.db2.gz WWABVGHRHGBAAU-CYBMUJFWSA-N 1 1 263.360 2.491 10 30 CEEEMO N#Cc1cccc2c1C[N@H+](C[C@H]1CCC[C@H](O)C1)C2 ZINC000405064516 395287843 /nfs/dbraw/zinc/28/78/43/395287843.db2.gz VPRRMJCKVHDBIF-WFASDCNBSA-N 1 1 256.349 2.425 10 30 CEEEMO N#Cc1cccc2c1C[N@@H+](C[C@H]1CCC[C@H](O)C1)C2 ZINC000405064516 395287848 /nfs/dbraw/zinc/28/78/48/395287848.db2.gz VPRRMJCKVHDBIF-WFASDCNBSA-N 1 1 256.349 2.425 10 30 CEEEMO C#C[C@@H]([NH2+]C)c1sccc1I ZINC000306205139 400331880 /nfs/dbraw/zinc/33/18/80/400331880.db2.gz RMLUIUASAHPJQQ-SSDOTTSWSA-N 1 1 277.130 2.246 10 30 CEEEMO C[C@@H]1C[NH+](Cc2ccc(C#CCCO)s2)C[C@@H](C)O1 ZINC000043678863 175089488 /nfs/dbraw/zinc/08/94/88/175089488.db2.gz WLBHTRHLWRXXLP-CHWSQXEVSA-N 1 1 279.405 2.091 10 30 CEEEMO 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COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000186388653 395290751 /nfs/dbraw/zinc/29/07/51/395290751.db2.gz FVKJXIZTHBOZSR-MRXNPFEDSA-N 1 1 272.348 2.394 10 30 CEEEMO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000186388653 395290755 /nfs/dbraw/zinc/29/07/55/395290755.db2.gz FVKJXIZTHBOZSR-MRXNPFEDSA-N 1 1 272.348 2.394 10 30 CEEEMO C#CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000192169056 395375285 /nfs/dbraw/zinc/37/52/85/395375285.db2.gz DYPZVTBXLSOIEY-HNNXBMFYSA-N 1 1 272.392 2.427 10 30 CEEEMO [NH2+]=C(NOC(=O)c1ccnc(Cl)c1)c1ccccc1 ZINC000004280900 169952809 /nfs/dbraw/zinc/95/28/09/169952809.db2.gz QTPKPFVFZDGQEM-UHFFFAOYSA-N 1 1 275.695 2.212 10 30 CEEEMO COCC[N@H+](Cc1ccccc1C#CCO)CC(C)C ZINC000042370661 174700817 /nfs/dbraw/zinc/70/08/17/174700817.db2.gz RHUPHERTXUVRDF-UHFFFAOYSA-N 1 1 275.392 2.135 10 30 CEEEMO C[N@H+]1CCCC[C@H]1CNC(=O)C1(C#N)CCCCCC1 ZINC000044767404 175249899 /nfs/dbraw/zinc/24/98/99/175249899.db2.gz ROXMTIPYXVTMEK-AWEZNQCLSA-N 1 1 277.412 2.451 10 30 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CC[C@@H]1CN(CCC[C@@](C)(C#N)NC(C)C)CC[N@H+]1C ZINC000110737303 186318936 /nfs/dbraw/zinc/31/89/36/186318936.db2.gz PTQMLELUOWDXLU-CVEARBPZSA-N 1 1 280.460 2.073 10 30 CEEEMO C[N@@H+]1CCN(C(=O)C2(C#N)CCCCCC2)CC1(C)C ZINC000110749106 186321155 /nfs/dbraw/zinc/32/11/55/186321155.db2.gz PHXZKQFSLHCLRX-UHFFFAOYSA-N 1 1 277.412 2.403 10 30 CEEEMO C[N@H+]1CCN(C(=O)C2(C#N)CCCCCC2)CC1(C)C ZINC000110749106 186321157 /nfs/dbraw/zinc/32/11/57/186321157.db2.gz PHXZKQFSLHCLRX-UHFFFAOYSA-N 1 1 277.412 2.403 10 30 CEEEMO CCOCC[N@@H+](CC)CCOc1ccc(CC#N)cc1 ZINC000111119226 186354354 /nfs/dbraw/zinc/35/43/54/186354354.db2.gz CKBSABHBQFIWPJ-UHFFFAOYSA-N 1 1 276.380 2.490 10 30 CEEEMO Cc1nn(C)c2ncc(C[NH2+][C@H]3CCC[C@@H]3C#N)cc12 ZINC000111339990 186401736 /nfs/dbraw/zinc/40/17/36/186401736.db2.gz AWIPOHZGYHCMIO-OCCSQVGLSA-N 1 1 269.352 2.059 10 30 CEEEMO C#CC(C)(C)[NH2+]Cc1ccc(I)o1 ZINC000069679872 362991569 /nfs/dbraw/zinc/99/15/69/362991569.db2.gz WABMTCVYFWFODY-UHFFFAOYSA-N 1 1 289.116 2.386 10 30 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/nfs/dbraw/zinc/32/70/89/186327089.db2.gz MNWKEKYCHQLUAE-UHFFFAOYSA-N 1 1 291.738 2.436 10 30 CEEEMO CCN[C@@](C)(C#N)CCCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000110737515 186319328 /nfs/dbraw/zinc/31/93/28/186319328.db2.gz WDSOPWZJMGJOTO-MRXNPFEDSA-N 1 1 280.460 2.074 10 30 CEEEMO CCN[C@@](C)(C#N)CCCCN1CC[N@H+](C)C(C)(C)C1 ZINC000110737515 186319330 /nfs/dbraw/zinc/31/93/30/186319330.db2.gz WDSOPWZJMGJOTO-MRXNPFEDSA-N 1 1 280.460 2.074 10 30 CEEEMO CCN[C@@](C)(C#N)CCCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000110737515 186319332 /nfs/dbraw/zinc/31/93/32/186319332.db2.gz WDSOPWZJMGJOTO-MRXNPFEDSA-N 1 1 280.460 2.074 10 30 CEEEMO CCOCC[N@@H+](CC)CC[C@@](C)(C#N)NC(C)C ZINC000111121576 186355627 /nfs/dbraw/zinc/35/56/27/186355627.db2.gz LMAFGRKQNGRROC-AWEZNQCLSA-N 1 1 255.406 2.015 10 30 CEEEMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000123242753 187079577 /nfs/dbraw/zinc/07/95/77/187079577.db2.gz YPBWBYYRXLKGDF-OAHLLOKOSA-N 1 1 287.359 2.084 10 30 CEEEMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000135112456 366396775 /nfs/dbraw/zinc/39/67/75/366396775.db2.gz HIVXONJWMPSKFY-GZBFAFLISA-N 1 1 252.402 2.434 10 30 CEEEMO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000150858002 366602041 /nfs/dbraw/zinc/60/20/41/366602041.db2.gz DKLQGGKZBCMWLH-WFASDCNBSA-N 1 1 286.379 2.408 10 30 CEEEMO C#CCOc1ccccc1C[NH2+]CCN(CC)CC ZINC000020089714 361579095 /nfs/dbraw/zinc/57/90/95/361579095.db2.gz JKEOPUSXYUCVDZ-UHFFFAOYSA-N 1 1 260.381 2.130 10 30 CEEEMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000248629947 371226052 /nfs/dbraw/zinc/22/60/52/371226052.db2.gz QJAZGQCMHAPMPY-HUUCEWRRSA-N 1 1 282.428 2.158 10 30 CEEEMO C[N@@H+](CCO)C1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000272287309 373410483 /nfs/dbraw/zinc/41/04/83/373410483.db2.gz ZGCXKAJPBUWPDI-UHFFFAOYSA-N 1 1 293.798 2.105 10 30 CEEEMO CCC[N@H+](CC1CC1)C[C@](N)(C#N)c1ccccc1 ZINC000045182158 175325291 /nfs/dbraw/zinc/32/52/91/175325291.db2.gz MZVYZNFOOSFQTL-MRXNPFEDSA-N 1 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287.363 2.057 10 30 CEEEMO Cc1nc(C[NH2+]Cc2cc(C#N)n(C)c2C)cs1 ZINC000075820834 176795354 /nfs/dbraw/zinc/79/53/54/176795354.db2.gz HDSJYAJUESLOBU-UHFFFAOYSA-N 1 1 260.366 2.260 10 30 CEEEMO C[C@H](CC#N)[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000161929016 261263535 /nfs/dbraw/zinc/26/35/35/261263535.db2.gz NCMABVONXXHKNN-DOMZBBRYSA-N 1 1 296.798 2.451 10 30 CEEEMO C[C@H](CC#N)[N@@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000161929016 261263536 /nfs/dbraw/zinc/26/35/36/261263536.db2.gz NCMABVONXXHKNN-DOMZBBRYSA-N 1 1 296.798 2.451 10 30 CEEEMO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177155178 329180655 /nfs/dbraw/zinc/18/06/55/329180655.db2.gz PZIVFWVNIATNCV-DZGCQCFKSA-N 1 1 291.395 2.164 10 30 CEEEMO C=CCCCCC[N@@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000193336114 333248253 /nfs/dbraw/zinc/24/82/53/333248253.db2.gz YTLOMTLZOSAOMW-LSDHHAIUSA-N 1 1 254.418 2.120 10 30 CEEEMO C=CCCCCCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000193336114 333248254 /nfs/dbraw/zinc/24/82/54/333248254.db2.gz YTLOMTLZOSAOMW-LSDHHAIUSA-N 1 1 254.418 2.120 10 30 CEEEMO C=CCCCCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000193336114 333248255 /nfs/dbraw/zinc/24/82/55/333248255.db2.gz YTLOMTLZOSAOMW-LSDHHAIUSA-N 1 1 254.418 2.120 10 30 CEEEMO CCCN[C@](C)(C#N)C[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000068616429 520102695 /nfs/dbraw/zinc/10/26/95/520102695.db2.gz RKHMRZXMFOYYAC-HOCLYGCPSA-N 1 1 280.460 2.073 10 30 CEEEMO CCCN[C@](C)(C#N)C[C@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000068616429 520102701 /nfs/dbraw/zinc/10/27/01/520102701.db2.gz RKHMRZXMFOYYAC-HOCLYGCPSA-N 1 1 280.460 2.073 10 30 CEEEMO CCCN[C@](C)(C#N)C[C@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000068616429 520102705 /nfs/dbraw/zinc/10/27/05/520102705.db2.gz RKHMRZXMFOYYAC-HOCLYGCPSA-N 1 1 280.460 2.073 10 30 CEEEMO CCN[C@](C)(C#N)C[C@@H](C)[N@@H+](C)CCc1ccncc1 ZINC000068611936 520225652 /nfs/dbraw/zinc/22/56/52/520225652.db2.gz BFIOWRIEMPWZNG-ZBFHGGJFSA-N 1 1 274.412 2.226 10 30 CEEEMO CN(Cc1ccc(C#CC[NH3+])cc1)Cc1cccnc1 ZINC000049609284 523203904 /nfs/dbraw/zinc/20/39/04/523203904.db2.gz XRMNFKAFURWCQX-UHFFFAOYSA-N 1 1 265.360 2.024 10 30 CEEEMO C[N@H+](Cc1ccccc1C#CCCO)C[C@@H]1CCCO1 ZINC000049614098 523356816 /nfs/dbraw/zinc/35/68/16/523356816.db2.gz UUVUKUXIHQMAKU-KRWDZBQOSA-N 1 1 273.376 2.031 10 30 CEEEMO COc1ccc(C#CCO)cc1C[N@H+]1CCC[C@@H]1C ZINC000049615236 523517512 /nfs/dbraw/zinc/51/75/12/523517512.db2.gz HPRIGNRIMUQRML-ZDUSSCGKSA-N 1 1 259.349 2.023 10 30 CEEEMO COCC[N@@H+](CC(C)C)[C@@H](C)C[C@@](C)(C#N)NC1CC1 ZINC000068612510 523680915 /nfs/dbraw/zinc/68/09/15/523680915.db2.gz IOTPHVDTTXKRMA-HOCLYGCPSA-N 1 1 281.444 2.404 10 30 CEEEMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccnc(C#N)c1 ZINC000068751469 524106654 /nfs/dbraw/zinc/10/66/54/524106654.db2.gz SHXLWPNUNYAPHP-CQSZACIVSA-N 1 1 272.396 2.307 10 30 CEEEMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049618522 524321192 /nfs/dbraw/zinc/32/11/92/524321192.db2.gz GMONYBJCOKPQMY-LBPRGKRZSA-N 1 1 261.340 2.400 10 30 CEEEMO C[C@@H]1CC[C@@H](C#N)[C@H](N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000062940836 524552678 /nfs/dbraw/zinc/55/26/78/524552678.db2.gz YSLROYHYWVCRSK-QKPAOTATSA-N 1 1 261.413 2.485 10 30 CEEEMO C[C@@H](C#N)C[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000054180513 526237927 /nfs/dbraw/zinc/23/79/27/526237927.db2.gz OJDJEHRMZXJNTP-QMMMGPOBSA-N 1 1 252.701 2.318 10 30 CEEEMO Cc1[nH+]ccn1Cc1ccc(C#CCCO)cc1F ZINC000049619064 527450708 /nfs/dbraw/zinc/45/07/08/527450708.db2.gz LDXRXWKJGWQKEU-UHFFFAOYSA-N 1 1 258.296 2.113 10 30 CEEEMO OCC#Cc1ccc(C[N@H+]2CCCSCC2)c(F)c1 ZINC000049615037 527519398 /nfs/dbraw/zinc/51/93/98/527519398.db2.gz RFWZHEXTYFJQDN-UHFFFAOYSA-N 1 1 279.380 2.108 10 30 CEEEMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000128001461 187346133 /nfs/dbraw/zinc/34/61/33/187346133.db2.gz XPCUVYWMHGIFOY-AWEZNQCLSA-N 1 1 288.351 2.387 10 30 CEEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000083550758 178580669 /nfs/dbraw/zinc/58/06/69/178580669.db2.gz LJRVQSLCPMNNNN-CZUORRHYSA-N 1 1 255.365 2.227 10 30 CEEEMO C#C[C@H]([NH2+]C)c1cccc(C)c1I ZINC000234393227 344585060 /nfs/dbraw/zinc/58/50/60/344585060.db2.gz RVUUITHFMSCWJM-JTQLQIEISA-N 1 1 285.128 2.493 10 30 CEEEMO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc(OC)c1O ZINC000061891714 362697796 /nfs/dbraw/zinc/69/77/96/362697796.db2.gz QOXIRERNQPYPKT-VXGBXAGGSA-N 1 1 276.336 2.191 10 30 CEEEMO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C#N)(SC)CC1 ZINC000091474469 180165328 /nfs/dbraw/zinc/16/53/28/180165328.db2.gz FWGGTJOVIXKUJC-STQMWFEESA-N 1 1 297.468 2.401 10 30 CEEEMO C=C(Cl)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105910459 186089451 /nfs/dbraw/zinc/08/94/51/186089451.db2.gz DNZRFPHCUDIFPJ-UHFFFAOYSA-N 1 1 266.776 2.130 10 30 CEEEMO N#Cc1c(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)cn2ccccc12 ZINC000107925572 186198480 /nfs/dbraw/zinc/19/84/80/186198480.db2.gz VWLFIFDBXSHNPC-YIONKMFJSA-N 1 1 281.359 2.299 10 30 CEEEMO C[N@H+]1CCN(Cc2ccc(C#CCCO)s2)CC1(C)C ZINC000110734742 186318226 /nfs/dbraw/zinc/31/82/26/186318226.db2.gz MJFSBDCFVWIRFD-UHFFFAOYSA-N 1 1 292.448 2.008 10 30 CEEEMO CN1CC[N@H+](Cc2ccc(C#CCCO)s2)CC1(C)C ZINC000110734742 186318228 /nfs/dbraw/zinc/31/82/28/186318228.db2.gz MJFSBDCFVWIRFD-UHFFFAOYSA-N 1 1 292.448 2.008 10 30 CEEEMO CN1CC[N@@H+](Cc2ccc(C#CCCO)s2)CC1(C)C ZINC000110734742 186318229 /nfs/dbraw/zinc/31/82/29/186318229.db2.gz MJFSBDCFVWIRFD-UHFFFAOYSA-N 1 1 292.448 2.008 10 30 CEEEMO N#Cc1c(CN2CC[N@H+]3CCCC[C@@H]3C2)cn2ccccc12 ZINC000177767012 189067878 /nfs/dbraw/zinc/06/78/78/189067878.db2.gz RNQZLSYXTKFGHR-MRXNPFEDSA-N 1 1 294.402 2.481 10 30 CEEEMO C#CCCCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180333060 189250502 /nfs/dbraw/zinc/25/05/02/189250502.db2.gz VKYDMEJYAMFRCL-OAHLLOKOSA-N 1 1 273.380 2.376 10 30 CEEEMO N#Cc1ccccc1OCCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000093952696 364242637 /nfs/dbraw/zinc/24/26/37/364242637.db2.gz PZWBVBCWCZGMAY-MRXNPFEDSA-N 1 1 285.391 2.107 10 30 CEEEMO C=C(Br)C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116407989 365055715 /nfs/dbraw/zinc/05/57/15/365055715.db2.gz REEROAJREONGEN-JTQLQIEISA-N 1 1 270.174 2.118 10 30 CEEEMO C=C(Br)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116407989 365055722 /nfs/dbraw/zinc/05/57/22/365055722.db2.gz REEROAJREONGEN-JTQLQIEISA-N 1 1 270.174 2.118 10 30 CEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C#N)c1 ZINC000174988036 368086699 /nfs/dbraw/zinc/08/66/99/368086699.db2.gz KRZCLYRFIGKZCN-HZPDHXFCSA-N 1 1 283.375 2.257 10 30 CEEEMO N#Cc1cccc(CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000246218299 370929035 /nfs/dbraw/zinc/92/90/35/370929035.db2.gz PYBZYGUIQGIDHZ-INIZCTEOSA-N 1 1 255.365 2.228 10 30 CEEEMO N#CCc1cccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000195055262 370100566 /nfs/dbraw/zinc/10/05/66/370100566.db2.gz QMIWMWKIUYBEGK-MRXNPFEDSA-N 1 1 283.375 2.063 10 30 CEEEMO N#CCc1cccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000195055262 370100569 /nfs/dbraw/zinc/10/05/69/370100569.db2.gz QMIWMWKIUYBEGK-MRXNPFEDSA-N 1 1 283.375 2.063 10 30 CEEEMO CC#CCC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248390379 371184977 /nfs/dbraw/zinc/18/49/77/371184977.db2.gz IBJCUKWUPFYMSO-WFASDCNBSA-N 1 1 265.303 2.486 10 30 CEEEMO CC#CCC[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248390379 371184980 /nfs/dbraw/zinc/18/49/80/371184980.db2.gz IBJCUKWUPFYMSO-WFASDCNBSA-N 1 1 265.303 2.486 10 30 CEEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ncccc1C#N ZINC000267303576 372067770 /nfs/dbraw/zinc/06/77/70/372067770.db2.gz VFBCVULCQRRJCI-KBPBESRZSA-N 1 1 256.353 2.016 10 30 CEEEMO O[C@@H]1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C1 ZINC000398746581 375353218 /nfs/dbraw/zinc/35/32/18/375353218.db2.gz SMSCRGMXZMXYHX-GVDBMIGSSA-N 1 1 255.361 2.131 10 30 CEEEMO N#CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1 ZINC000398982347 375355037 /nfs/dbraw/zinc/35/50/37/375355037.db2.gz GLHQOGBFGDODTD-ULQDDVLXSA-N 1 1 270.376 2.345 10 30 CEEEMO C=CCCCCC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000248721724 394546372 /nfs/dbraw/zinc/54/63/72/394546372.db2.gz FTQOYNRYVSIILO-JKSUJKDBSA-N 1 1 266.429 2.385 10 30 CEEEMO CN1CCC([N@@H+](C)Cc2sccc2C#CCCO)CC1 ZINC000043679162 175089937 /nfs/dbraw/zinc/08/99/37/175089937.db2.gz FNBXKBXWZPBLSS-UHFFFAOYSA-N 1 1 292.448 2.008 10 30 CEEEMO CN(Cc1sccc1C#CCCO)C1CC[NH+](C)CC1 ZINC000043679162 175089938 /nfs/dbraw/zinc/08/99/38/175089938.db2.gz FNBXKBXWZPBLSS-UHFFFAOYSA-N 1 1 292.448 2.008 10 30 CEEEMO CCCN[C@@](C)(C#N)CC[N@H+](CCN(C)C)CC(C)C ZINC000045181791 175325007 /nfs/dbraw/zinc/32/50/07/175325007.db2.gz QKZBZFDNJYWAOH-MRXNPFEDSA-N 1 1 282.476 2.178 10 30 CEEEMO CCCN[C@@](C)(C#N)CC[N@@H+](CCN(C)C)CC(C)C ZINC000045181791 175325009 /nfs/dbraw/zinc/32/50/09/175325009.db2.gz QKZBZFDNJYWAOH-MRXNPFEDSA-N 1 1 282.476 2.178 10 30 CEEEMO CCCN[C@](C)(C#N)CC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000045182065 175325712 /nfs/dbraw/zinc/32/57/12/175325712.db2.gz BBPGVGIYHGSTNQ-GJZGRUSLSA-N 1 1 267.417 2.159 10 30 CEEEMO CCc1[nH+]ccn1C[C@@](C#N)(NC)c1ccccc1 ZINC000045207221 175328833 /nfs/dbraw/zinc/32/88/33/175328833.db2.gz MRSHTBSDSUYFCT-OAHLLOKOSA-N 1 1 254.337 2.084 10 30 CEEEMO CCCN[C@](C)(C#N)CCCC[NH+]1CCN(CC)CC1 ZINC000045306535 175356002 /nfs/dbraw/zinc/35/60/02/175356002.db2.gz SBZTYLODVIAOPI-INIZCTEOSA-N 1 1 280.460 2.076 10 30 CEEEMO CCCN[C@](C)(C#N)CCC[N@@H+](C)C1CCN(C)CC1 ZINC000045307875 175356431 /nfs/dbraw/zinc/35/64/31/175356431.db2.gz AIJZXSVCXXLHTH-INIZCTEOSA-N 1 1 280.460 2.074 10 30 CEEEMO CC(C)N[C@](C)(C#N)CCC[NH+]1CCN(C(C)C)CC1 ZINC000045311482 175356744 /nfs/dbraw/zinc/35/67/44/175356744.db2.gz SCPIQNBUVCPIFY-INIZCTEOSA-N 1 1 280.460 2.073 10 30 CEEEMO CCN1CCC([N@@H+](C)CCC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045317162 175357888 /nfs/dbraw/zinc/35/78/88/175357888.db2.gz ABNLZIRXEZBQLB-KRWDZBQOSA-N 1 1 292.471 2.217 10 30 CEEEMO CCC(CC)[N@@H+](CCC[C@@](C)(C#N)NC)CCOC ZINC000045319523 175359214 /nfs/dbraw/zinc/35/92/14/175359214.db2.gz TWJCVKGGXLOPES-HNNXBMFYSA-N 1 1 269.433 2.405 10 30 CEEEMO C[C@@]([NH3+])(C#N)CCCCn1ccc(C(F)(F)F)n1 ZINC000045322791 175359817 /nfs/dbraw/zinc/35/98/17/175359817.db2.gz GPZBFMKNGYDLGS-JTQLQIEISA-N 1 1 260.263 2.313 10 30 CEEEMO C[C@@]([NH3+])(C#N)CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000045331344 175360445 /nfs/dbraw/zinc/36/04/45/175360445.db2.gz NDZDHSXEMQBRSQ-LBPRGKRZSA-N 1 1 267.260 2.134 10 30 CEEEMO CC(C)C[N@@H+](C)Cc1ccc(F)cc1/C(N)=N/O ZINC000071266790 176100664 /nfs/dbraw/zinc/10/06/64/176100664.db2.gz OOJDAWRTCCMFNF-UHFFFAOYSA-N 1 1 253.321 2.008 10 30 CEEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(CC#N)cc1 ZINC000177107164 261687071 /nfs/dbraw/zinc/68/70/71/261687071.db2.gz AKNRQJRWEGPNLO-CZUORRHYSA-N 1 1 298.390 2.453 10 30 CEEEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(F)c1C#N ZINC000188409742 262295081 /nfs/dbraw/zinc/29/50/81/262295081.db2.gz NQFHVGGFGATCAP-GFCCVEGCSA-N 1 1 289.354 2.254 10 30 CEEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc(C#N)cn1 ZINC000252662429 274373367 /nfs/dbraw/zinc/37/33/67/274373367.db2.gz YYLDDEPZVJGRAO-OCCSQVGLSA-N 1 1 256.353 2.016 10 30 CEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ncccc1C#N ZINC000267303580 281195961 /nfs/dbraw/zinc/19/59/61/281195961.db2.gz VFBCVULCQRRJCI-UONOGXRCSA-N 1 1 256.353 2.016 10 30 CEEEMO C=CCSCCNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177463342 329184289 /nfs/dbraw/zinc/18/42/89/329184289.db2.gz KJQWHYYKIVKKFN-CYBMUJFWSA-N 1 1 285.457 2.031 10 30 CEEEMO C=CCC1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC1 ZINC000190438991 329396839 /nfs/dbraw/zinc/39/68/39/329396839.db2.gz NNZCVGRZGDCJMU-CQSZACIVSA-N 1 1 262.397 2.430 10 30 CEEEMO C=CCC1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCC1 ZINC000190438991 329396840 /nfs/dbraw/zinc/39/68/40/329396840.db2.gz NNZCVGRZGDCJMU-CQSZACIVSA-N 1 1 262.397 2.430 10 30 CEEEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)o1 ZINC000193640147 333254476 /nfs/dbraw/zinc/25/44/76/333254476.db2.gz BRNCKKAVQWJHCV-DOMZBBRYSA-N 1 1 277.368 2.293 10 30 CEEEMO CC[N@@H+](Cc1cc(C#CCO)ccc1OC)C1CC1 ZINC000049617365 521286177 /nfs/dbraw/zinc/28/61/77/521286177.db2.gz YPTZTRMKWXQJRC-UHFFFAOYSA-N 1 1 259.349 2.023 10 30 CEEEMO CC[C@@H](C)[N@@H+](C)Cc1cc(C#CCO)ccc1OC ZINC000049617204 522064789 /nfs/dbraw/zinc/06/47/89/522064789.db2.gz OINCHLIHSIJHSS-CYBMUJFWSA-N 1 1 261.365 2.269 10 30 CEEEMO CC(C)C[N@@H+](C)CCOc1cccc(C#CCCO)c1 ZINC000049617744 519709044 /nfs/dbraw/zinc/70/90/44/519709044.db2.gz ZVCHSWNGYKMOSM-UHFFFAOYSA-N 1 1 275.392 2.387 10 30 CEEEMO CC(C)N[C@](C)(C#N)C[C@@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000068615633 519739473 /nfs/dbraw/zinc/73/94/73/519739473.db2.gz XGKNERJIGHBFEE-ZACQAIPSSA-N 1 1 292.471 2.215 10 30 CEEEMO CCCN[C@@](C)(C#N)C[C@H](C)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000068615615 520032814 /nfs/dbraw/zinc/03/28/14/520032814.db2.gz DOWYURJAHWOHLH-GVDBMIGSSA-N 1 1 292.471 2.217 10 30 CEEEMO CC[C@@H](C)[N@@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049617193 522060053 /nfs/dbraw/zinc/06/00/53/522060053.db2.gz PIDFZAHANKBSLG-CQSZACIVSA-N 1 1 261.365 2.140 10 30 CEEEMO C[N@H+](Cc1ccc(F)cc1C#CCCO)C[C@@H]1CCCO1 ZINC000049614163 523253772 /nfs/dbraw/zinc/25/37/72/523253772.db2.gz NWZJBXZXAKNKPC-KRWDZBQOSA-N 1 1 291.366 2.170 10 30 CEEEMO C[N@@H+](Cc1cccc(N)c1)Cc1ccnc(C#N)c1 ZINC000068755935 523314498 /nfs/dbraw/zinc/31/44/98/523314498.db2.gz MOANIDRAQAGRQN-UHFFFAOYSA-N 1 1 252.321 2.167 10 30 CEEEMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1C#CCO ZINC000049614678 523350989 /nfs/dbraw/zinc/35/09/89/523350989.db2.gz KFKVMCIQMFOQAG-PBHICJAKSA-N 1 1 273.376 2.030 10 30 CEEEMO COCC[N@H+](Cc1cccnc1C#N)[C@@H](C)C1CC1 ZINC000061664514 523761797 /nfs/dbraw/zinc/76/17/97/523761797.db2.gz POZADYIYAZEVRG-LBPRGKRZSA-N 1 1 259.353 2.200 10 30 CEEEMO COCC[N@@H+](Cc1cccnc1C#N)[C@@H](C)C1CC1 ZINC000061664514 523761803 /nfs/dbraw/zinc/76/18/03/523761803.db2.gz POZADYIYAZEVRG-LBPRGKRZSA-N 1 1 259.353 2.200 10 30 CEEEMO COCC[N@H+](Cc1cccnc1C#N)[C@H](C)C1CC1 ZINC000061664515 523763246 /nfs/dbraw/zinc/76/32/46/523763246.db2.gz POZADYIYAZEVRG-GFCCVEGCSA-N 1 1 259.353 2.200 10 30 CEEEMO COCC[N@@H+](Cc1cccnc1C#N)[C@H](C)C1CC1 ZINC000061664515 523763248 /nfs/dbraw/zinc/76/32/48/523763248.db2.gz POZADYIYAZEVRG-GFCCVEGCSA-N 1 1 259.353 2.200 10 30 CEEEMO 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KFYZUGDUQQGQAG-IAGOWNOFSA-N 1 1 294.487 2.463 10 30 CEEEMO CCCN[C@@](C)(C#N)C[C@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000068616494 520032888 /nfs/dbraw/zinc/03/28/88/520032888.db2.gz ZSEPJFLSRDIDDK-HRCADAONSA-N 1 1 281.444 2.405 10 30 CEEEMO CCN1CCC([N@@H+](C)[C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1 ZINC000068612946 521566929 /nfs/dbraw/zinc/56/69/29/521566929.db2.gz ICBWIZLKTWJZPB-RDJZCZTQSA-N 1 1 294.487 2.461 10 30 CEEEMO CC[NH+]1CCC(N(C)[C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1 ZINC000068612946 521566937 /nfs/dbraw/zinc/56/69/37/521566937.db2.gz ICBWIZLKTWJZPB-RDJZCZTQSA-N 1 1 294.487 2.461 10 30 CEEEMO CC[N@H+]1CCC[C@H]1CN(C)c1cc(C#N)cc(C)n1 ZINC000161090903 521653856 /nfs/dbraw/zinc/65/38/56/521653856.db2.gz UJTSJGNYKVOKLS-AWEZNQCLSA-N 1 1 258.369 2.182 10 30 CEEEMO CN(C)C[C@H]1CCC[N@H+]1CCCOc1ccccc1C#N ZINC000061644209 521868101 /nfs/dbraw/zinc/86/81/01/521868101.db2.gz YKKQKNDGUSDLMS-MRXNPFEDSA-N 1 1 287.407 2.353 10 30 CEEEMO C[NH+](C)C[C@H]1CCCN1CCCOc1ccccc1C#N ZINC000061644209 521868114 /nfs/dbraw/zinc/86/81/14/521868114.db2.gz YKKQKNDGUSDLMS-MRXNPFEDSA-N 1 1 287.407 2.353 10 30 CEEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000181303827 522598527 /nfs/dbraw/zinc/59/85/27/522598527.db2.gz NFHSBMRRHASTKL-AWEZNQCLSA-N 1 1 297.362 2.123 10 30 CEEEMO CN(Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CCCCO1 ZINC000049609526 523203123 /nfs/dbraw/zinc/20/31/23/523203123.db2.gz HUAQZFXPRJFDAK-MRXNPFEDSA-N 1 1 290.382 2.137 10 30 CEEEMO CC[C@@H]1CCC[N@H+]1Cc1cc(C#CCO)ccc1OC ZINC000049615141 523269023 /nfs/dbraw/zinc/26/90/23/523269023.db2.gz FWDRSUAHZVOMFE-MRXNPFEDSA-N 1 1 273.376 2.413 10 30 CEEEMO CC[C@H]1C[N@H+](Cc2cccc(C#CCCO)c2)CCO1 ZINC000049618437 523293400 /nfs/dbraw/zinc/29/34/00/523293400.db2.gz ISDQKNWIFWMUMM-KRWDZBQOSA-N 1 1 273.376 2.031 10 30 CEEEMO CC[C@H]1C[N@@H+](Cc2cccc(C#CCCO)c2)CCO1 ZINC000049618437 523293407 /nfs/dbraw/zinc/29/34/07/523293407.db2.gz ISDQKNWIFWMUMM-KRWDZBQOSA-N 1 1 273.376 2.031 10 30 CEEEMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049614666 523518510 /nfs/dbraw/zinc/51/85/10/523518510.db2.gz HELKCHIDCVASGJ-CRAIPNDOSA-N 1 1 287.403 2.420 10 30 CEEEMO COc1ccc(C[N@@H+](C)C2CCCC2)cc1C#CCO ZINC000049617543 524002695 /nfs/dbraw/zinc/00/26/95/524002695.db2.gz UUFFMLQZKVSVON-UHFFFAOYSA-N 1 1 273.376 2.413 10 30 CEEEMO C[C@H]1C[NH+](Cc2cccc(C#CCCO)c2)C[C@H](C)O1 ZINC000049615962 524622841 /nfs/dbraw/zinc/62/28/41/524622841.db2.gz PLVUKXRYQFWYOZ-GJZGRUSLSA-N 1 1 273.376 2.030 10 30 CEEEMO C[C@@H]1C[N@@H+](Cc2ccc(C#CCCO)cc2)C[C@H](C)O1 ZINC000049615872 524990838 /nfs/dbraw/zinc/99/08/38/524990838.db2.gz QLGQVBNXOILGAU-GASCZTMLSA-N 1 1 273.376 2.030 10 30 CEEEMO C[C@@H]1C[N@H+](Cc2ccc(C#CCCO)cc2)C[C@H](C)O1 ZINC000049615872 524990852 /nfs/dbraw/zinc/99/08/52/524990852.db2.gz QLGQVBNXOILGAU-GASCZTMLSA-N 1 1 273.376 2.030 10 30 CEEEMO C[C@]([NH3+])(C#N)CCCCSc1nnc2ccccn21 ZINC000061407892 525143510 /nfs/dbraw/zinc/14/35/10/525143510.db2.gz XHXKIXSWNNSISH-CYBMUJFWSA-N 1 1 275.381 2.233 10 30 CEEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCOc1ccc(C#N)cc1 ZINC000175035537 529304955 /nfs/dbraw/zinc/30/49/55/529304955.db2.gz FOZCUOQGOCFSNO-DLBZAZTESA-N 1 1 299.418 2.496 10 30 CEEEMO CC[N@H+]1CCC[C@@H]1CN(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000092628741 628206481 /nfs/dbraw/zinc/20/64/81/628206481.db2.gz USSVKFHPDNWJHS-SJORKVTESA-N 1 1 287.407 2.008 10 30 CEEEMO CCCCCCCS(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195240929 628529587 /nfs/dbraw/zinc/52/95/87/628529587.db2.gz WKXVDTDOPKAAIV-CQSZACIVSA-N 1 1 288.457 2.067 10 30 CEEEMO N#CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000061892071 639727950 /nfs/dbraw/zinc/72/79/50/639727950.db2.gz VQHLRPGGDAHGFX-HIFRSBDPSA-N 1 1 255.321 2.371 10 30 CEEEMO COc1ccc(C[N@H+]2CCC[C@H](C(C)=O)C2)cc1C#N ZINC000087829123 639763871 /nfs/dbraw/zinc/76/38/71/639763871.db2.gz SADJBDGTANVCPB-AWEZNQCLSA-N 1 1 272.348 2.368 10 30 CEEEMO Cc1cnc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000230643938 639776044 /nfs/dbraw/zinc/77/60/44/639776044.db2.gz CSXPWDNMQICSDV-FZMZJTMJSA-N 1 1 271.320 2.239 10 30 CEEEMO N#Cc1cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)ccn1 ZINC000160443827 344459093 /nfs/dbraw/zinc/45/90/93/344459093.db2.gz VXXHPKXPIFZQKP-GDBMZVCRSA-N 1 1 271.364 2.080 10 30 CEEEMO C#CC(C)(C)[NH2+]Cc1c(Br)c(C)nn1CC ZINC000084278518 178841124 /nfs/dbraw/zinc/84/11/24/178841124.db2.gz YENAZYLISDRHRZ-UHFFFAOYSA-N 1 1 284.201 2.475 10 30 CEEEMO COc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc2c1OCCO2 ZINC000061892543 362696852 /nfs/dbraw/zinc/69/68/52/362696852.db2.gz ZBDMHBWAGRNJMU-OLZOCXBDSA-N 1 1 288.347 2.248 10 30 CEEEMO CCN[C@@](C)(C#N)CCCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091430062 180152986 /nfs/dbraw/zinc/15/29/86/180152986.db2.gz RDWXXWDGYAODGK-JKSUJKDBSA-N 1 1 280.460 2.074 10 30 CEEEMO CCN[C@@](C)(C#N)CCCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091430062 180152989 /nfs/dbraw/zinc/15/29/89/180152989.db2.gz RDWXXWDGYAODGK-JKSUJKDBSA-N 1 1 280.460 2.074 10 30 CEEEMO CC(C)N[C@@](C)(C#N)CCCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091432261 180153918 /nfs/dbraw/zinc/15/39/18/180153918.db2.gz OKXITQNLGCZQRZ-DLBZAZTESA-N 1 1 294.487 2.463 10 30 CEEEMO CC(C)N[C@@](C)(C#N)CCCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000091432261 180153921 /nfs/dbraw/zinc/15/39/21/180153921.db2.gz OKXITQNLGCZQRZ-DLBZAZTESA-N 1 1 294.487 2.463 10 30 CEEEMO CSC1(C#N)CC[NH+]([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000091474984 180165196 /nfs/dbraw/zinc/16/51/96/180165196.db2.gz IPRSRDQKJRHHGP-CYBMUJFWSA-N 1 1 297.468 2.258 10 30 CEEEMO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C#N)(SC)CC1 ZINC000091474462 180165484 /nfs/dbraw/zinc/16/54/84/180165484.db2.gz FWGGTJOVIXKUJC-CHWSQXEVSA-N 1 1 297.468 2.401 10 30 CEEEMO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C#N)(SC)CC1 ZINC000091474466 180165765 /nfs/dbraw/zinc/16/57/65/180165765.db2.gz FWGGTJOVIXKUJC-QWHCGFSZSA-N 1 1 297.468 2.401 10 30 CEEEMO C#CCOc1ccccc1C[NH2+]C[C@H](C)N1CCCC1 ZINC000092022535 180308240 /nfs/dbraw/zinc/30/82/40/180308240.db2.gz SBVLZHMRHHDOHX-HNNXBMFYSA-N 1 1 272.392 2.273 10 30 CEEEMO CCc1ccc(C[NH+]2CCN([C@H](C)C#N)CC2)s1 ZINC000109452606 186253697 /nfs/dbraw/zinc/25/36/97/186253697.db2.gz XYXSNBOBMYVNTH-GFCCVEGCSA-N 1 1 263.410 2.340 10 30 CEEEMO C[C@H]1CN(C(=O)C2(C#N)CCCCCC2)CC[N@@H+]1C ZINC000110748538 186321863 /nfs/dbraw/zinc/32/18/63/186321863.db2.gz YTZIAAXDZYHBNA-ZDUSSCGKSA-N 1 1 263.385 2.013 10 30 CEEEMO C[C@H]1CN(C(=O)C2(C#N)CCCCCC2)CC[N@H+]1C ZINC000110748538 186321865 /nfs/dbraw/zinc/32/18/65/186321865.db2.gz YTZIAAXDZYHBNA-ZDUSSCGKSA-N 1 1 263.385 2.013 10 30 CEEEMO C[N@H+](Cc1ccccc1C#CCCO)CC1CCOCC1 ZINC000111168326 186364009 /nfs/dbraw/zinc/36/40/09/186364009.db2.gz XOWLZROBEXDCOX-UHFFFAOYSA-N 1 1 287.403 2.279 10 30 CEEEMO CC#CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000156940309 188288837 /nfs/dbraw/zinc/28/88/37/188288837.db2.gz IBJCUKWUPFYMSO-SWLSCSKDSA-N 1 1 265.303 2.486 10 30 CEEEMO CC#CCC[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000156940309 188288839 /nfs/dbraw/zinc/28/88/39/188288839.db2.gz IBJCUKWUPFYMSO-SWLSCSKDSA-N 1 1 265.303 2.486 10 30 CEEEMO C=CCC(CC=C)C(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000150727338 366594078 /nfs/dbraw/zinc/59/40/78/366594078.db2.gz NRBNRRYFXHWJIU-INIZCTEOSA-N 1 1 294.439 2.324 10 30 CEEEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc(C#N)c1 ZINC000088757427 363921992 /nfs/dbraw/zinc/92/19/92/363921992.db2.gz MONQFZAVPMPAFR-AWEZNQCLSA-N 1 1 281.363 2.337 10 30 CEEEMO N#CCSCCC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152277578 260640520 /nfs/dbraw/zinc/64/05/20/260640520.db2.gz IXUWWOTUJHVXPQ-AWEZNQCLSA-N 1 1 277.393 2.182 10 30 CEEEMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000160302754 366991787 /nfs/dbraw/zinc/99/17/87/366991787.db2.gz WPBIVIAQBPUNQX-CYBMUJFWSA-N 1 1 299.353 2.201 10 30 CEEEMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000160302754 366991793 /nfs/dbraw/zinc/99/17/93/366991793.db2.gz WPBIVIAQBPUNQX-CYBMUJFWSA-N 1 1 299.353 2.201 10 30 CEEEMO C#CCCOc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000245710772 370861700 /nfs/dbraw/zinc/86/17/00/370861700.db2.gz FXDWMCUAQHTRCH-KRWDZBQOSA-N 1 1 284.403 2.369 10 30 CEEEMO CCOCCN1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1C ZINC000245734479 370867013 /nfs/dbraw/zinc/86/70/13/370867013.db2.gz KKVBEPRKYKOMEQ-OAHLLOKOSA-N 1 1 281.444 2.359 10 30 CEEEMO Clc1cccc(C#CCN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178974987 368318102 /nfs/dbraw/zinc/31/81/02/368318102.db2.gz JNYUUPAMANONGL-MRXNPFEDSA-N 1 1 274.795 2.472 10 30 CEEEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2C)C1 ZINC000178554378 368303362 /nfs/dbraw/zinc/30/33/62/368303362.db2.gz RPZWNDZIEGHRPY-CQSZACIVSA-N 1 1 286.379 2.473 10 30 CEEEMO C=CCCC[C@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000181094415 368421218 /nfs/dbraw/zinc/42/12/18/368421218.db2.gz KVYUMIOHOYFHGD-GJZGRUSLSA-N 1 1 297.443 2.093 10 30 CEEEMO C=CCCC[C@H](C)NC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000181094415 368421226 /nfs/dbraw/zinc/42/12/26/368421226.db2.gz KVYUMIOHOYFHGD-GJZGRUSLSA-N 1 1 297.443 2.093 10 30 CEEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000246189227 370924054 /nfs/dbraw/zinc/92/40/54/370924054.db2.gz VZRKUHLUWJTDSJ-QWHCGFSZSA-N 1 1 270.442 2.237 10 30 CEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C#N)cc1 ZINC000247076778 371061471 /nfs/dbraw/zinc/06/14/71/371061471.db2.gz YXQCCJKVEBRNBH-CVEARBPZSA-N 1 1 283.375 2.257 10 30 CEEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1F ZINC000247502565 371116698 /nfs/dbraw/zinc/11/66/98/371116698.db2.gz VEPDWNHMWJMJPH-WFASDCNBSA-N 1 1 273.355 2.366 10 30 CEEEMO CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248628185 371226303 /nfs/dbraw/zinc/22/63/03/371226303.db2.gz VPXVKPASYCTIFE-MELADBBJSA-N 1 1 278.396 2.245 10 30 CEEEMO C[C@@]12C[N@@H+](Cc3ncc(C#N)cn3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333480563 205359526 /nfs/dbraw/zinc/35/95/26/205359526.db2.gz FNLYSVKJWCNKOA-HOSILWTGSA-N 1 1 268.364 2.216 10 30 CEEEMO C#CCNC(=O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000302713027 379431587 /nfs/dbraw/zinc/43/15/87/379431587.db2.gz DXTSSRRTDBBKEI-UHFFFAOYSA-N 1 1 273.723 2.050 10 30 CEEEMO N#Cc1cnc2ccccc2c1N1CC[N@H+]2CCC[C@H]2C1 ZINC000246998702 394524861 /nfs/dbraw/zinc/52/48/61/394524861.db2.gz NTHJACGEFARTGW-AWEZNQCLSA-N 1 1 278.359 2.391 10 30 CEEEMO CCC#CC[N@H+]1CCC[C@@]2(CCC(=O)N(CC)C2)C1 ZINC000091655876 394658191 /nfs/dbraw/zinc/65/81/91/394658191.db2.gz VOTCORJMVZRSKB-MRXNPFEDSA-N 1 1 262.397 2.124 10 30 CEEEMO CCOCCN1CC[N@@H+](CCCCC#N)C[C@H]1CC ZINC000105838579 394722896 /nfs/dbraw/zinc/72/28/96/394722896.db2.gz IMIFOLYAQSYJDA-OAHLLOKOSA-N 1 1 267.417 2.113 10 30 CEEEMO CCOCC[N@@H+]1CCN(CCCCC#N)C[C@H]1CC ZINC000105838579 394722898 /nfs/dbraw/zinc/72/28/98/394722898.db2.gz IMIFOLYAQSYJDA-OAHLLOKOSA-N 1 1 267.417 2.113 10 30 CEEEMO CCOCC[N@H+]1CCN(CCCCC#N)C[C@H]1CC ZINC000105838579 394722902 /nfs/dbraw/zinc/72/29/02/394722902.db2.gz IMIFOLYAQSYJDA-OAHLLOKOSA-N 1 1 267.417 2.113 10 30 CEEEMO CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000188305967 395314188 /nfs/dbraw/zinc/31/41/88/395314188.db2.gz DEKCTPHWDGVODO-WBMJQRKESA-N 1 1 271.364 2.220 10 30 CEEEMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000533540460 395462591 /nfs/dbraw/zinc/46/25/91/395462591.db2.gz SDVNPVVLRDZNCO-ZFWWWQNUSA-N 1 1 269.348 2.371 10 30 CEEEMO C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000020315183 171146569 /nfs/dbraw/zinc/14/65/69/171146569.db2.gz WHKVDTPLZMJOCL-SNVBAGLBSA-N 1 1 252.745 2.120 10 30 CEEEMO CN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000035174436 172027650 /nfs/dbraw/zinc/02/76/50/172027650.db2.gz NFSFYRRRFMJFJX-KBPBESRZSA-N 1 1 263.385 2.013 10 30 CEEEMO C[C@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccccc1C#N ZINC000035207504 172051539 /nfs/dbraw/zinc/05/15/39/172051539.db2.gz XCMKNOWHWVFKSG-LLVKDONJSA-N 1 1 257.337 2.227 10 30 CEEEMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#CCO)s1 ZINC000043678444 175089180 /nfs/dbraw/zinc/08/91/80/175089180.db2.gz BWBHOUQJEZQMNX-QWHCGFSZSA-N 1 1 279.405 2.091 10 30 CEEEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#CCO)s1 ZINC000043678444 175089181 /nfs/dbraw/zinc/08/91/81/175089181.db2.gz BWBHOUQJEZQMNX-QWHCGFSZSA-N 1 1 279.405 2.091 10 30 CEEEMO C[C@H]1C[C@H](C)C[NH+](C[C@@](N)(C#N)c2ccccc2)C1 ZINC000045178644 175324151 /nfs/dbraw/zinc/32/41/51/175324151.db2.gz GVVMQNSUILCUQN-DZKIICNBSA-N 1 1 257.381 2.342 10 30 CEEEMO CCCN[C@](C)(C#N)CC[N@@H+](CCOC)CC(C)C ZINC000045182033 175325281 /nfs/dbraw/zinc/32/52/81/175325281.db2.gz UDHFZCCZIRJPIY-HNNXBMFYSA-N 1 1 269.433 2.263 10 30 CEEEMO CCCO[C@@H]1CCC[N@@H+](CC[C@@](C)(C#N)NCC)C1 ZINC000045183283 175325318 /nfs/dbraw/zinc/32/53/18/175325318.db2.gz QLXCPTBUDBMAIX-CABCVRRESA-N 1 1 267.417 2.159 10 30 CEEEMO C[C@](N)(C#N)CCCC[N@H+]1CCc2ccccc2C1 ZINC000045307620 175355977 /nfs/dbraw/zinc/35/59/77/175355977.db2.gz APVGOMHBQJOZBU-MRXNPFEDSA-N 1 1 257.381 2.456 10 30 CEEEMO CCCN[C@@](C)(C#N)CCC[NH+]1CCN(C(C)C)CC1 ZINC000045311480 175356146 /nfs/dbraw/zinc/35/61/46/175356146.db2.gz DGVPHMHVVGFVFJ-MRXNPFEDSA-N 1 1 280.460 2.074 10 30 CEEEMO CCN[C@@](C)(C#N)CCC[N@@H+](C)C1CCN(CC)CC1 ZINC000045317142 175358078 /nfs/dbraw/zinc/35/80/78/175358078.db2.gz REQSUPQAXLZQMA-MRXNPFEDSA-N 1 1 280.460 2.074 10 30 CEEEMO CC[N@@H+](CCCC[C@](C)(C#N)NC(C)C)CCOC ZINC000045316932 175358408 /nfs/dbraw/zinc/35/84/08/175358408.db2.gz AULXCZLJTDSRIX-OAHLLOKOSA-N 1 1 269.433 2.405 10 30 CEEEMO COCC[N@@H+](CCC[C@](C)(C#N)NC(C)C)[C@@H](C)COC ZINC000045318870 175358788 /nfs/dbraw/zinc/35/87/88/175358788.db2.gz RBMHBFVNFBBUJJ-JKSUJKDBSA-N 1 1 299.459 2.030 10 30 CEEEMO COCCc1ccc(OCCC[C@](C)([NH3+])C#N)cc1 ZINC000045329903 175360098 /nfs/dbraw/zinc/36/00/98/175360098.db2.gz YHMVYJPMMTTXPT-HNNXBMFYSA-N 1 1 262.353 2.275 10 30 CEEEMO C=CC[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177521059 329185336 /nfs/dbraw/zinc/18/53/36/329185336.db2.gz SVBQNBMELNJIMF-STQMWFEESA-N 1 1 253.390 2.077 10 30 CEEEMO C[NH+]=C(NC[C@@H]1CCCN1C)N1CCC2(C1)CCCCC2 ZINC000262480635 330016716 /nfs/dbraw/zinc/01/67/16/330016716.db2.gz RIEFKGPEZAITJO-HNNXBMFYSA-N 1 1 292.471 2.312 10 30 CEEEMO C=CCC[C@@H](CC)[NH2+]C1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263475519 330057164 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C#CC[NH2+]CC(=O)Nc1cccc(O[C@@H](C)CC)c1 ZINC000092493336 180396812 /nfs/dbraw/zinc/39/68/12/180396812.db2.gz UIJXCENORSFBNP-LBPRGKRZSA-N 1 1 260.337 2.025 10 30 CEEEMO CC[C@H]1C[N@@H+](CCCC[C@@](C)(C#N)NC(C)C)CCN1C ZINC000110737339 186319435 /nfs/dbraw/zinc/31/94/35/186319435.db2.gz YWNDRLUVFGEYML-IRXDYDNUSA-N 1 1 294.487 2.463 10 30 CEEEMO CC[C@H]1CN(CCCC[C@@](C)(C#N)NC(C)C)CC[N@@H+]1C ZINC000110737339 186319437 /nfs/dbraw/zinc/31/94/37/186319437.db2.gz YWNDRLUVFGEYML-IRXDYDNUSA-N 1 1 294.487 2.463 10 30 CEEEMO CC[C@H]1CN(CCCC[C@@](C)(C#N)NC(C)C)CC[N@H+]1C ZINC000110737339 186319439 /nfs/dbraw/zinc/31/94/39/186319439.db2.gz YWNDRLUVFGEYML-IRXDYDNUSA-N 1 1 294.487 2.463 10 30 CEEEMO C=CC1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000111836740 186461690 /nfs/dbraw/zinc/46/16/90/186461690.db2.gz HCJQYYXBLRHXOC-CQSZACIVSA-N 1 1 265.401 2.078 10 30 CEEEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000155753590 188225245 /nfs/dbraw/zinc/22/52/45/188225245.db2.gz 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C=CCCO[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000253548066 371526909 /nfs/dbraw/zinc/52/69/09/371526909.db2.gz BMVMHGDBIKVVJC-KFWWJZLASA-N 1 1 280.412 2.053 10 30 CEEEMO C[C@H](C#N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309712551 376602913 /nfs/dbraw/zinc/60/29/13/376602913.db2.gz KOKNQQUKZQQLGQ-MWQQHZPXSA-N 1 1 297.402 2.173 10 30 CEEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ncccc1C#N ZINC000252661442 394573007 /nfs/dbraw/zinc/57/30/07/394573007.db2.gz KKSNOYOWHJATRC-OCCSQVGLSA-N 1 1 256.353 2.016 10 30 CEEEMO CC[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CCN1CCOC ZINC000120980183 394789290 /nfs/dbraw/zinc/78/92/90/394789290.db2.gz JTNNBMVTLOHKPH-OAHLLOKOSA-N 1 1 281.444 2.359 10 30 CEEEMO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C#N)c(C)n1 ZINC000156591140 395033270 /nfs/dbraw/zinc/03/32/70/395033270.db2.gz YGWFSVLWLPFQTM-KGLIPLIRSA-N 1 1 270.380 2.243 10 30 CEEEMO CC[N@H+]1CCC[C@@H]1CN(C)CCCSCC#N ZINC000175354101 395131705 /nfs/dbraw/zinc/13/17/05/395131705.db2.gz 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CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000182599677 395245358 /nfs/dbraw/zinc/24/53/58/395245358.db2.gz IXZBHKHWCUFOJF-AAEUAGOBSA-N 1 1 277.368 2.247 10 30 CEEEMO C[C@@](C#N)(CC[N@H+]1CCc2ccccc2C1)NC1CC1 ZINC000045179489 175324079 /nfs/dbraw/zinc/32/40/79/175324079.db2.gz PTDIYRHSFJMOSO-KRWDZBQOSA-N 1 1 269.392 2.469 10 30 CEEEMO CCCN1CC[NH+](CCCC[C@@](C)(C#N)NCC)CC1 ZINC000045306462 175355813 /nfs/dbraw/zinc/35/58/13/175355813.db2.gz RGLQKGBYPLIBNT-INIZCTEOSA-N 1 1 280.460 2.076 10 30 CEEEMO CN[C@](C)(C#N)CCC[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000045317393 175358398 /nfs/dbraw/zinc/35/83/98/175358398.db2.gz GUWSLPSZIPLSAZ-ZFWWWQNUSA-N 1 1 267.417 2.015 10 30 CEEEMO CC[C@@H](C)[N@@H+](CCCC[C@@](C)(C#N)NC)CCOC ZINC000045317933 175358698 /nfs/dbraw/zinc/35/86/98/175358698.db2.gz VWZWFJHMZSVWOX-CABCVRRESA-N 1 1 269.433 2.405 10 30 CEEEMO CCN[C@@](C)(C#N)CCCC[N@@H+](CCOC)[C@@H](C)COC ZINC000045318901 175359125 /nfs/dbraw/zinc/35/91/25/175359125.db2.gz XTWJRVHXPHREPT-JKSUJKDBSA-N 1 1 299.459 2.032 10 30 CEEEMO CC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1/C(N)=N/O ZINC000071266896 176100650 /nfs/dbraw/zinc/10/06/50/176100650.db2.gz KDWNIVVIGVVIKC-LBPRGKRZSA-N 1 1 265.332 2.295 10 30 CEEEMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(F)c1 ZINC000398988020 270364954 /nfs/dbraw/zinc/36/49/54/270364954.db2.gz GKQTVGYBBVTFPI-QEJZJMRPSA-N 1 1 274.339 2.290 10 30 CEEEMO CC(C)[N@@H+]1C[C@H](NC(=O)c2sccc2C#N)[C@@H](C)C1 ZINC000155641694 289179673 /nfs/dbraw/zinc/17/96/73/289179673.db2.gz WIJXAYHDDOSZQM-JQWIXIFHSA-N 1 1 277.393 2.078 10 30 CEEEMO C=C(C)C[C@H](C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000185372955 329271405 /nfs/dbraw/zinc/27/14/05/329271405.db2.gz XJTXTRPIXKPOPK-UONOGXRCSA-N 1 1 250.386 2.285 10 30 CEEEMO CC[NH+]=C(NC1CCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262810395 330033132 /nfs/dbraw/zinc/03/31/32/330033132.db2.gz UYFBSCJMRXRDBN-INIZCTEOSA-N 1 1 292.471 2.359 10 30 CEEEMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](CCOCC)[C@@H](C)C1 ZINC000185600544 333144567 /nfs/dbraw/zinc/14/45/67/333144567.db2.gz DBLFUUVBGNAJHW-GJZGRUSLSA-N 1 1 282.428 2.158 10 30 CEEEMO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](CCOCC)[C@@H](C)C1 ZINC000185600544 333144568 /nfs/dbraw/zinc/14/45/68/333144568.db2.gz DBLFUUVBGNAJHW-GJZGRUSLSA-N 1 1 282.428 2.158 10 30 CEEEMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246171744 334238278 /nfs/dbraw/zinc/23/82/78/334238278.db2.gz SFZFMTKJIMLORQ-QWHCGFSZSA-N 1 1 295.452 2.155 10 30 CEEEMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCS[C@@H](C)C1 ZINC000246171744 334238279 /nfs/dbraw/zinc/23/82/79/334238279.db2.gz SFZFMTKJIMLORQ-QWHCGFSZSA-N 1 1 295.452 2.155 10 30 CEEEMO CCN[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)CCc1ccncc1 ZINC000068611940 520127984 /nfs/dbraw/zinc/12/79/84/520127984.db2.gz BFIOWRIEMPWZNG-GDBMZVCRSA-N 1 1 274.412 2.226 10 30 CEEEMO C[N@H+](Cc1cccc(C#CCCO)c1)C[C@H]1CCCO1 ZINC000049614161 523291912 /nfs/dbraw/zinc/29/19/12/523291912.db2.gz WAHGUTWUAOOBAZ-QGZVFWFLSA-N 1 1 273.376 2.031 10 30 CEEEMO COCC[N@@H+](CC(C)C)[C@H](C)C[C@@](C)(C#N)NC1CC1 ZINC000068612513 523680977 /nfs/dbraw/zinc/68/09/77/523680977.db2.gz IOTPHVDTTXKRMA-ZBFHGGJFSA-N 1 1 281.444 2.404 10 30 CEEEMO C[C@H]1CCC[N@@H+](CCOc2ccc(C#CCO)cc2)C1 ZINC000049616041 524089133 /nfs/dbraw/zinc/08/91/33/524089133.db2.gz OMHXMJYGUYSVIZ-HNNXBMFYSA-N 1 1 273.376 2.141 10 30 CEEEMO C[C@@H](C1CC1)[N@@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049618490 524319800 /nfs/dbraw/zinc/31/98/00/524319800.db2.gz HCNUDQFHMYJUBX-AWEZNQCLSA-N 1 1 273.376 2.140 10 30 CEEEMO C[C@@H](CCN(C)C)[NH2+]Cc1cccc(OCC#N)c1 ZINC000049554009 524475875 /nfs/dbraw/zinc/47/58/75/524475875.db2.gz DLDQWADPNVFWHN-ZDUSSCGKSA-N 1 1 261.369 2.019 10 30 CEEEMO C#C[C@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000185987818 642054835 /nfs/dbraw/zinc/05/48/35/642054835.db2.gz BGGVQTDJWDJCLX-DOTOQJQBSA-N 1 1 299.418 2.362 10 30 CEEEMO C=C[C@](C)(O)C[N@@H+](CCCOC)Cc1cccc(OC)c1 ZINC000036032081 361824547 /nfs/dbraw/zinc/82/45/47/361824547.db2.gz ZJLHQZNWAGLDTQ-KRWDZBQOSA-N 1 1 293.407 2.471 10 30 CEEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(C#N)cc1F ZINC000094460859 136513866 /nfs/dbraw/zinc/51/38/66/136513866.db2.gz CVZAKXFLHOFAMD-DGCLKSJQSA-N 1 1 259.328 2.370 10 30 CEEEMO N#C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000306756389 539753892 /nfs/dbraw/zinc/75/38/92/539753892.db2.gz RFXWNRLJKCEOEG-HNNXBMFYSA-N 1 1 256.349 2.439 10 30 CEEEMO N#C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000306756389 539753898 /nfs/dbraw/zinc/75/38/98/539753898.db2.gz RFXWNRLJKCEOEG-HNNXBMFYSA-N 1 1 256.349 2.439 10 30 CEEEMO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C#N)(SC)CC1 ZINC000091474467 180165233 /nfs/dbraw/zinc/16/52/33/180165233.db2.gz FWGGTJOVIXKUJC-OLZOCXBDSA-N 1 1 297.468 2.401 10 30 CEEEMO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000091528022 180179830 /nfs/dbraw/zinc/17/98/30/180179830.db2.gz FNDQNUJLSADDCS-TXEJJXNPSA-N 1 1 257.337 2.085 10 30 CEEEMO C[N@@H+](Cc1cccnc1C#N)C1CCC2(CC1)OCCO2 ZINC000091853719 180274005 /nfs/dbraw/zinc/27/40/05/180274005.db2.gz BJKBMBSKVAARGO-UHFFFAOYSA-N 1 1 287.363 2.071 10 30 CEEEMO CN(C[C@@H](C#N)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091848033 180271510 /nfs/dbraw/zinc/27/15/10/180271510.db2.gz YMLRKXHPOQIZDE-QQFBHYJXSA-N 1 1 257.381 2.495 10 30 CEEEMO C[C@H]1C[N@@H+](CCOc2ccc(C#CCCO)cc2)C[C@H]1C ZINC000092087055 180321062 /nfs/dbraw/zinc/32/10/62/180321062.db2.gz IZNMHCSMNLWGIE-IYBDPMFKSA-N 1 1 287.403 2.387 10 30 CEEEMO CC[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CC[N@@H+]1C ZINC000110748906 186322252 /nfs/dbraw/zinc/32/22/52/186322252.db2.gz VQFMGDCVHDYXJD-CYBMUJFWSA-N 1 1 263.385 2.013 10 30 CEEEMO CC[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CC[N@H+]1C ZINC000110748906 186322253 /nfs/dbraw/zinc/32/22/53/186322253.db2.gz VQFMGDCVHDYXJD-CYBMUJFWSA-N 1 1 263.385 2.013 10 30 CEEEMO CC(C)C[N@H+]1CCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000130744260 365987906 /nfs/dbraw/zinc/98/79/06/365987906.db2.gz UNVXEBOFOLMONL-CYBMUJFWSA-N 1 1 261.369 2.361 10 30 CEEEMO CCCN[C@@](C)(C#N)CC[N@@H+](CC)CCOCC ZINC000111121573 186354737 /nfs/dbraw/zinc/35/47/37/186354737.db2.gz OQRYWEYBCYOVNK-CQSZACIVSA-N 1 1 255.406 2.017 10 30 CEEEMO CCOCC[N@@H+](CC)CCC[C@](C)(C#N)NC(C)C ZINC000111121625 186355577 /nfs/dbraw/zinc/35/55/77/186355577.db2.gz SFMXOFPJHPOAKI-OAHLLOKOSA-N 1 1 269.433 2.405 10 30 CEEEMO CC#CCC[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000155527981 188212094 /nfs/dbraw/zinc/21/20/94/188212094.db2.gz CBLILRLYCPTSCG-OAHLLOKOSA-N 1 1 292.448 2.467 10 30 CEEEMO C=CCCCN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000132394710 366140084 /nfs/dbraw/zinc/14/00/84/366140084.db2.gz JVHYEUDTBUAPAY-KGLIPLIRSA-N 1 1 267.417 2.323 10 30 CEEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(C#N)cc1 ZINC000175000815 188928636 /nfs/dbraw/zinc/92/86/36/188928636.db2.gz HBRFFPOFIAGXMA-IAGOWNOFSA-N 1 1 297.402 2.186 10 30 CEEEMO C=CCOCCCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177147661 189031694 /nfs/dbraw/zinc/03/16/94/189031694.db2.gz QAWNIBWOMHNSJN-HNNXBMFYSA-N 1 1 291.395 2.165 10 30 CEEEMO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000183072072 189345363 /nfs/dbraw/zinc/34/53/63/189345363.db2.gz RAEDVBGBBOPDEQ-ZDUSSCGKSA-N 1 1 262.353 2.439 10 30 CEEEMO CC[N@H+]1CCC[C@H]1CN(C)c1nc2c(cc1C#N)CCC2 ZINC000092631256 364090305 /nfs/dbraw/zinc/09/03/05/364090305.db2.gz BBZRPORFMSHLDW-HNNXBMFYSA-N 1 1 284.407 2.362 10 30 CEEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1C#N ZINC000113268948 364882186 /nfs/dbraw/zinc/88/21/86/364882186.db2.gz LZGAICADFKJEJU-BLLLJJGKSA-N 1 1 273.355 2.366 10 30 CEEEMO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000245478071 370826124 /nfs/dbraw/zinc/82/61/24/370826124.db2.gz UYUATFTVFYXVOS-CVEARBPZSA-N 1 1 295.471 2.216 10 30 CEEEMO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@H]1CCC[N@H+]1CC ZINC000245478072 370827092 /nfs/dbraw/zinc/82/70/92/370827092.db2.gz UYUATFTVFYXVOS-HZPDHXFCSA-N 1 1 295.471 2.216 10 30 CEEEMO CCCC(=O)N[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000173878612 367954423 /nfs/dbraw/zinc/95/44/23/367954423.db2.gz PGGJTNLROJAWGB-ZDUSSCGKSA-N 1 1 283.441 2.014 10 30 CEEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246082425 370907271 /nfs/dbraw/zinc/90/72/71/370907271.db2.gz MYUPLZWDKQLPBQ-FGTMMUONSA-N 1 1 299.418 2.150 10 30 CEEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1C#N ZINC000247210839 371076819 /nfs/dbraw/zinc/07/68/19/371076819.db2.gz LZGAICADFKJEJU-WBMJQRKESA-N 1 1 273.355 2.366 10 30 CEEEMO CC[N@H+]1CC[C@H](Nc2ncc(Br)cc2C#N)C1 ZINC000389382018 375303356 /nfs/dbraw/zinc/30/33/56/375303356.db2.gz NAOUUVRCAJPZKV-NSHDSACASA-N 1 1 295.184 2.222 10 30 CEEEMO O=C(NC[C@H]1CCc2[nH+]ccn2C1)c1cnc2ccccn21 ZINC000328619364 376862958 /nfs/dbraw/zinc/86/29/58/376862958.db2.gz FURSBXHUILJKIL-GFCCVEGCSA-N 1 1 295.346 2.098 10 30 CEEEMO C#CCOC[C@@H](O)C[N@@H+](Cc1cccs1)[C@H](C)CC ZINC000036103421 542266944 /nfs/dbraw/zinc/26/69/44/542266944.db2.gz BBIODDJAVDPKQT-KGLIPLIRSA-N 1 1 281.421 2.359 10 30 CEEEMO N#Cc1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc2ccccc12 ZINC000083798767 394640627 /nfs/dbraw/zinc/64/06/27/394640627.db2.gz SMFDDIDMOUELGI-CQSZACIVSA-N 1 1 278.359 2.391 10 30 CEEEMO C#CCCCCC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000374515746 395083427 /nfs/dbraw/zinc/08/34/27/395083427.db2.gz WXYQXLMQRMDWJQ-HUUCEWRRSA-N 1 1 262.397 2.265 10 30 CEEEMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000398795578 395238466 /nfs/dbraw/zinc/23/84/66/395238466.db2.gz PIDNNEWRBSEMEI-XHSDSOJGSA-N 1 1 256.349 2.151 10 30 CEEEMO CN(CCC#N)C(=O)C[N@@H+](C)C1CCCCCC1 ZINC000035175678 172028412 /nfs/dbraw/zinc/02/84/12/172028412.db2.gz WVTOEABCIXMQCV-UHFFFAOYSA-N 1 1 251.374 2.013 10 30 CEEEMO C=CCNc1nc[nH+]c(NCCc2ccccc2)c1N ZINC000040708834 174380300 /nfs/dbraw/zinc/38/03/00/174380300.db2.gz OHADVTDHEUKFMV-UHFFFAOYSA-N 1 1 269.352 2.311 10 30 CEEEMO C=CCNc1[nH+]cnc(NCCc2ccccc2)c1N ZINC000040708834 174380302 /nfs/dbraw/zinc/38/03/02/174380302.db2.gz OHADVTDHEUKFMV-UHFFFAOYSA-N 1 1 269.352 2.311 10 30 CEEEMO CCN[C@@](C#N)(Cn1cc[nH+]c1C)c1ccccc1 ZINC000045183690 175326323 /nfs/dbraw/zinc/32/63/23/175326323.db2.gz IZJOHEJDZNBLIW-HNNXBMFYSA-N 1 1 254.337 2.220 10 30 CEEEMO CC[NH+](CC)CCN1C(=O)c2ccc(OC)cc2[C@@H]1C#N ZINC000071678527 176243568 /nfs/dbraw/zinc/24/35/68/176243568.db2.gz QUQWUMHSLBDOPB-HNNXBMFYSA-N 1 1 287.363 2.057 10 30 CEEEMO C[NH+](C)CCN1C(=O)c2c(ccc3ccccc23)[C@H]1C#N ZINC000071679882 176244256 /nfs/dbraw/zinc/24/42/56/176244256.db2.gz XYTQBGVJJBQVER-OAHLLOKOSA-N 1 1 279.343 2.422 10 30 CEEEMO C[C@@H]1COC[C@@H](C)[NH+]1CCOc1ccc(C#N)cc1 ZINC000077367632 177258227 /nfs/dbraw/zinc/25/82/27/177258227.db2.gz OAGUVJADSNWOBX-CHWSQXEVSA-N 1 1 260.337 2.046 10 30 CEEEMO C#CCOc1ccccc1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000188052550 260070103 /nfs/dbraw/zinc/07/01/03/260070103.db2.gz LJIBIEMIZDYXJF-CQSZACIVSA-N 1 1 299.374 2.011 10 30 CEEEMO CC[N@H+]1CCC[C@@H]1CN(C)c1cc(C)ncc1C#N ZINC000399569671 266145421 /nfs/dbraw/zinc/14/54/21/266145421.db2.gz ICOLEZSEHDRLFP-CQSZACIVSA-N 1 1 258.369 2.182 10 30 CEEEMO Cc1ccc(/C=N/N=C2C3(C)CN4C[NH+](C3)CC2(C)C4)cc1 ZINC000026896250 278779481 /nfs/dbraw/zinc/77/94/81/278779481.db2.gz UOIWENORJNRCAT-CJDJWCQUSA-N 1 1 296.418 2.385 10 30 CEEEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCc1ccc(C#N)cc1 ZINC000177007993 279324704 /nfs/dbraw/zinc/32/47/04/279324704.db2.gz ZHANEXZAGQGOBT-KRWDZBQOSA-N 1 1 299.418 2.434 10 30 CEEEMO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000172398176 290220152 /nfs/dbraw/zinc/22/01/52/290220152.db2.gz MRIGKEFDWDITDG-CZUORRHYSA-N 1 1 255.365 2.399 10 30 CEEEMO C=CCOCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000175010569 329162177 /nfs/dbraw/zinc/16/21/77/329162177.db2.gz UQQATIUVNCBMSK-HUUCEWRRSA-N 1 1 280.412 2.054 10 30 CEEEMO CC(C)N[C@](C)(C#N)C[C@@H](C)[N@H+]1CCC[C@@H]1CN(C)C ZINC000068615227 519739394 /nfs/dbraw/zinc/73/93/94/519739394.db2.gz YSZIWSDAHVDJFI-OAGGEKHMSA-N 1 1 280.460 2.071 10 30 CEEEMO CCCN[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CCN(CC)CC1 ZINC000068612921 520032116 /nfs/dbraw/zinc/03/21/16/520032116.db2.gz BOAYXUPLRCTWBD-NVXWUHKLSA-N 1 1 294.487 2.463 10 30 CEEEMO CCCN[C@@](C)(C#N)C[C@@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000068612921 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CC(C)[NH+]1CCN(C(=O)C2(C#N)CCCCCC2)CC1 ZINC000044765870 175248825 /nfs/dbraw/zinc/24/88/25/175248825.db2.gz ZDFBVMBFPVVJID-UHFFFAOYSA-N 1 1 277.412 2.403 10 30 CEEEMO C[N@H+]1CCC[C@@H](CNC(=O)C2(C#N)CCCCCC2)C1 ZINC000044767394 175250102 /nfs/dbraw/zinc/25/01/02/175250102.db2.gz OTGRSIQUDPEVPB-AWEZNQCLSA-N 1 1 277.412 2.309 10 30 CEEEMO C[C@](C#N)(CC[N@H+]1CCc2ccccc2C1)NC1CC1 ZINC000045179487 175324227 /nfs/dbraw/zinc/32/42/27/175324227.db2.gz PTDIYRHSFJMOSO-QGZVFWFLSA-N 1 1 269.392 2.469 10 30 CEEEMO CCCN[C@@](C)(C#N)CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000045181888 175325094 /nfs/dbraw/zinc/32/50/94/175325094.db2.gz OFECKOZMRNYXAG-LSDHHAIUSA-N 1 1 267.417 2.159 10 30 CEEEMO CCN[C@@](C)(C#N)CCCC[N@@H+](C)C1CCOCC1 ZINC000045311845 175356875 /nfs/dbraw/zinc/35/68/75/175356875.db2.gz PCNJHVKKUBXIFR-OAHLLOKOSA-N 1 1 267.417 2.159 10 30 CEEEMO COCC[N@@H+](CCCC[C@@](C)(N)C#N)CC(C)C ZINC000045315008 175357222 /nfs/dbraw/zinc/35/72/22/175357222.db2.gz UQZNVAQIHGAJJX-CQSZACIVSA-N 1 1 255.406 2.002 10 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CC(C)N[C@@](C)(C#N)C[C@@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000068616442 519735771 /nfs/dbraw/zinc/73/57/71/519735771.db2.gz OXKHVWUEYBQLFK-GDBMZVCRSA-N 1 1 280.460 2.071 10 30 CEEEMO CC(C)N[C@@](C)(C#N)C[C@@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000068616442 519735774 /nfs/dbraw/zinc/73/57/74/519735774.db2.gz OXKHVWUEYBQLFK-GDBMZVCRSA-N 1 1 280.460 2.071 10 30 CEEEMO CC[N@H+](Cc1ccc(F)c(C#CCO)c1)CC1CC1 ZINC000069239046 521313063 /nfs/dbraw/zinc/31/30/63/521313063.db2.gz BJXWABAYIKQILP-UHFFFAOYSA-N 1 1 261.340 2.401 10 30 CEEEMO COCC[N@@H+](CC[C@H](C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000062437294 523727180 /nfs/dbraw/zinc/72/71/80/523727180.db2.gz SWVPWWQMURTLOM-DZGCQCFKSA-N 1 1 267.417 2.014 10 30 CEEEMO C[NH+]=C(NCCC1=CCCCC1)NC[C@@H]1CCCN1C ZINC000114067406 526354277 /nfs/dbraw/zinc/35/42/77/526354277.db2.gz DRCAKOGSROAAJC-HNNXBMFYSA-N 1 1 278.444 2.136 10 30 CEEEMO CCCCCCCS(=O)(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000195129226 628527039 /nfs/dbraw/zinc/52/70/39/628527039.db2.gz 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175359531 /nfs/dbraw/zinc/35/95/31/175359531.db2.gz COMKTBUATBXZKW-AWEZNQCLSA-N 1 1 264.325 2.104 10 30 CEEEMO C[C@]([NH3+])(C#N)CCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000045332384 175360882 /nfs/dbraw/zinc/36/08/82/175360882.db2.gz MNRPLKHKVIWJON-GFCCVEGCSA-N 1 1 267.260 2.134 10 30 CEEEMO CCC[N@@H+](CC)CCOc1ccc(C#CCO)cc1 ZINC000049617322 175494186 /nfs/dbraw/zinc/49/41/86/175494186.db2.gz YLWYNLPZPGUWBP-UHFFFAOYSA-N 1 1 261.365 2.141 10 30 CEEEMO CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2cc(C#N)cs2)C1 ZINC000247490905 280331387 /nfs/dbraw/zinc/33/13/87/280331387.db2.gz WWDQAGKKPQRFJG-SMDDNHRTSA-N 1 1 263.410 2.438 10 30 CEEEMO CC(C)[N@H+]1C[C@H](C)[C@H](NCc2cc(C#N)cs2)C1 ZINC000247490905 280331389 /nfs/dbraw/zinc/33/13/89/280331389.db2.gz WWDQAGKKPQRFJG-SMDDNHRTSA-N 1 1 263.410 2.438 10 30 CEEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246394698 290222258 /nfs/dbraw/zinc/22/22/58/290222258.db2.gz JBTQQHXEGHDWOE-RKVPGOIHSA-N 1 1 299.418 2.272 10 30 CEEEMO C#CCCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000173330725 329146055 /nfs/dbraw/zinc/14/60/55/329146055.db2.gz MCBUISYIIIKYBG-CQSZACIVSA-N 1 1 288.395 2.205 10 30 CEEEMO C=C[C@](C)(CCOC)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000189365244 329380002 /nfs/dbraw/zinc/38/00/02/329380002.db2.gz YPYGBVHWWPDGBO-OFQRWUPVSA-N 1 1 282.428 2.060 10 30 CEEEMO C=CC[C@@H](C)[C@H](C)[NH2+]C1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263527180 330058881 /nfs/dbraw/zinc/05/88/81/330058881.db2.gz UPFSWUMCZVRKDD-KBHBFKLGSA-N 1 1 268.401 2.114 10 30 CEEEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)o1 ZINC000193642390 333254625 /nfs/dbraw/zinc/25/46/25/333254625.db2.gz ZPFVLQMBOMEVQG-IAQYHMDHSA-N 1 1 275.352 2.047 10 30 CEEEMO CC(C)N[C@@](C)(C#N)C[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC000068616568 519735849 /nfs/dbraw/zinc/73/58/49/519735849.db2.gz PXNTYVPONPOIQY-GOEBONIOSA-N 1 1 281.444 2.404 10 30 CEEEMO CCCN[C@@](C)(C#N)C[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC000068616553 520032235 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PSAMBRCSPUQIPC-OAHLLOKOSA-N 1 1 294.439 2.302 10 30 CEEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ncc(C#N)cc1Cl ZINC000246790179 371009965 /nfs/dbraw/zinc/00/99/65/371009965.db2.gz RHCPLYPACIMUIS-JQWIXIFHSA-N 1 1 276.771 2.280 10 30 CEEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1C#N ZINC000247781443 371141355 /nfs/dbraw/zinc/14/13/55/371141355.db2.gz XQVXSNSZTTVSLH-LRDDRELGSA-N 1 1 273.355 2.366 10 30 CEEEMO C=CCC[C@H](O)C[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249581627 371341571 /nfs/dbraw/zinc/34/15/71/371341571.db2.gz RHKYPPUZIZBGJJ-QLFBSQMISA-N 1 1 281.421 2.083 10 30 CEEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000251639337 371409966 /nfs/dbraw/zinc/40/99/66/371409966.db2.gz FURZVBKWKXNRDP-RISCZKNCSA-N 1 1 286.335 2.139 10 30 CEEEMO N#C[C@@]1([NH3+])CCC[C@@H]1CCn1ccc(C(F)(F)F)n1 ZINC000093576206 184691889 /nfs/dbraw/zinc/69/18/89/184691889.db2.gz BBLVVMNJITZNPH-KOLCDFICSA-N 1 1 272.274 2.313 10 30 CEEEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000048769988 394528305 /nfs/dbraw/zinc/52/83/05/394528305.db2.gz JQLDVNBDEVPJOX-CQSZACIVSA-N 1 1 272.352 2.164 10 30 CEEEMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483173 394751258 /nfs/dbraw/zinc/75/12/58/394751258.db2.gz CYUDIVFCFAHDFS-HNNXBMFYSA-N 1 1 290.411 2.361 10 30 CEEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114483173 394751260 /nfs/dbraw/zinc/75/12/60/394751260.db2.gz CYUDIVFCFAHDFS-HNNXBMFYSA-N 1 1 290.411 2.361 10 30 CEEEMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000532749009 395461021 /nfs/dbraw/zinc/46/10/21/395461021.db2.gz VEBGZWFOJXTERO-DZGCQCFKSA-N 1 1 269.348 2.371 10 30 CEEEMO C=CCC[C@H](O)C[N@H+](C)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984840 400261788 /nfs/dbraw/zinc/26/17/88/400261788.db2.gz ASDYXGPDSLHJGF-JKSUJKDBSA-N 1 1 288.391 2.439 10 30 CEEEMO N#CC1([NH+]2CCCCCC2)CCC2(CC1)OCCO2 ZINC000038086159 174097048 /nfs/dbraw/zinc/09/70/48/174097048.db2.gz RDYRTUWGKLNRTM-UHFFFAOYSA-N 1 1 264.369 2.442 10 30 CEEEMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#CCO)s1 ZINC000043678443 175088982 /nfs/dbraw/zinc/08/89/82/175088982.db2.gz BWBHOUQJEZQMNX-OLZOCXBDSA-N 1 1 279.405 2.091 10 30 CEEEMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#CCO)s1 ZINC000043678443 175088983 /nfs/dbraw/zinc/08/89/83/175088983.db2.gz BWBHOUQJEZQMNX-OLZOCXBDSA-N 1 1 279.405 2.091 10 30 CEEEMO COCC[N@@H+](Cc1sccc1C#CCO)[C@@H](C)C1CC1 ZINC000043682050 175091058 /nfs/dbraw/zinc/09/10/58/175091058.db2.gz SSJOFBNKOGEMIR-ZDUSSCGKSA-N 1 1 293.432 2.339 10 30 CEEEMO C[N@H+]1CC[C@@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000044386116 175170006 /nfs/dbraw/zinc/17/00/06/175170006.db2.gz XORBVJGUDFIZHP-GFCCVEGCSA-N 1 1 252.321 2.222 10 30 CEEEMO C[N@H+]1CCC[C@@H](NC(=O)C2(C#N)CCCCCC2)C1 ZINC000044766108 175249389 /nfs/dbraw/zinc/24/93/89/175249389.db2.gz JGTTWPGNDVZKRW-CYBMUJFWSA-N 1 1 263.385 2.061 10 30 CEEEMO Cc1c(C)n(C[C@@H]2CC[N@H+](C(C)C)C2)c(N)c1C#N ZINC000045136380 175313867 /nfs/dbraw/zinc/31/38/67/175313867.db2.gz CAICLJXCOCBJOK-CYBMUJFWSA-N 1 1 260.385 2.289 10 30 CEEEMO CC(C)c1[nH+]ccn1C[C@@](N)(C#N)c1ccccc1 ZINC000045183469 175326277 /nfs/dbraw/zinc/32/62/77/175326277.db2.gz AVWMYXAYOFWIMY-HNNXBMFYSA-N 1 1 254.337 2.384 10 30 CEEEMO CCN[C@@](C)(C#N)CCC[N@@H+](C)CCc1ccccn1 ZINC000045305997 175355535 /nfs/dbraw/zinc/35/55/35/175355535.db2.gz PHLZSZQFNIIBGT-MRXNPFEDSA-N 1 1 274.412 2.228 10 30 CEEEMO CCCN[C@](C)(C#N)CCCC[N@H+]1CCCN(C)CC1 ZINC000045308401 175356792 /nfs/dbraw/zinc/35/67/92/175356792.db2.gz SGBBTSRAPAUARX-INIZCTEOSA-N 1 1 280.460 2.076 10 30 CEEEMO CCCN[C@](C)(C#N)CCCCN1CCC[N@H+](C)CC1 ZINC000045308401 175356793 /nfs/dbraw/zinc/35/67/93/175356793.db2.gz SGBBTSRAPAUARX-INIZCTEOSA-N 1 1 280.460 2.076 10 30 CEEEMO CCCN[C@](C)(C#N)CCCCN1CCC[N@@H+](C)CC1 ZINC000045308401 175356794 /nfs/dbraw/zinc/35/67/94/175356794.db2.gz SGBBTSRAPAUARX-INIZCTEOSA-N 1 1 280.460 2.076 10 30 CEEEMO COC[C@H](C)[N@@H+](C)CCCC[C@@](C)(C#N)NC(C)C ZINC000045314660 175356934 /nfs/dbraw/zinc/35/69/34/175356934.db2.gz RRZNQKMTDPFBRK-GJZGRUSLSA-N 1 1 269.433 2.404 10 30 CEEEMO COC[C@H](C)[N@@H+](C)CCCC[C@@](C)(C#N)NC1CC1 ZINC000045314669 175357374 /nfs/dbraw/zinc/35/73/74/175357374.db2.gz DSSUUFGVHWKBPG-ZFWWWQNUSA-N 1 1 267.417 2.158 10 30 CEEEMO CCN[C@](C)(C#N)CCCC[N@H+]1CCOC(C)(C)C1 ZINC000045311951 175357479 /nfs/dbraw/zinc/35/74/79/175357479.db2.gz ODJXTHMWHYUXHL-HNNXBMFYSA-N 1 1 267.417 2.159 10 30 CEEEMO CN(C[C@H]1CC[N@@H+](C)C1)c1nc(C(F)(F)F)ccc1C#N ZINC000078835847 177395939 /nfs/dbraw/zinc/39/59/39/177395939.db2.gz COCWYSLFVLRWEP-JTQLQIEISA-N 1 1 298.312 2.360 10 30 CEEEMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249880092 261259057 /nfs/dbraw/zinc/25/90/57/261259057.db2.gz NCULUHUDAHPRGQ-CHWSQXEVSA-N 1 1 293.436 2.322 10 30 CEEEMO CC[C@@H](C#N)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000370059470 267286949 /nfs/dbraw/zinc/28/69/49/267286949.db2.gz IOYRIRNNBOSGMJ-JSGCOSHPSA-N 1 1 263.385 2.202 10 30 CEEEMO C=CCCO[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000175046384 329162328 /nfs/dbraw/zinc/16/23/28/329162328.db2.gz BMVMHGDBIKVVJC-RBSFLKMASA-N 1 1 280.412 2.053 10 30 CEEEMO C[NH+]=C(NC[C@@H]1CCCN1C)N1CC[C@H](CC(C)C)C1 ZINC000262424804 330009523 /nfs/dbraw/zinc/00/95/23/330009523.db2.gz CIYYEIMEFIRPDP-CABCVRRESA-N 1 1 280.460 2.024 10 30 CEEEMO C=CCC[C@H]([NH2+]C[C@H](O)CN1CCCCC1)C1CC1 ZINC000120440372 330387914 /nfs/dbraw/zinc/38/79/14/330387914.db2.gz GBLCLEDKEJKFRR-HOTGVXAUSA-N 1 1 266.429 2.168 10 30 CEEEMO CCCN[C@@](C)(C#N)C[C@H](C)N1CC[N@@H+](C)C(C)(C)C1 ZINC000068616434 520033456 /nfs/dbraw/zinc/03/34/56/520033456.db2.gz RKHMRZXMFOYYAC-GOEBONIOSA-N 1 1 280.460 2.073 10 30 CEEEMO CCCN[C@@](C)(C#N)C[C@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000068616434 520033461 /nfs/dbraw/zinc/03/34/61/520033461.db2.gz RKHMRZXMFOYYAC-GOEBONIOSA-N 1 1 280.460 2.073 10 30 CEEEMO CCCN[C@@](C)(C#N)C[C@H](C)[N@H+]1CCN(C)C(C)(C)C1 ZINC000068616434 520033470 /nfs/dbraw/zinc/03/34/70/520033470.db2.gz RKHMRZXMFOYYAC-GOEBONIOSA-N 1 1 280.460 2.073 10 30 CEEEMO CCC[NH2+]CC1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000068760763 519912494 /nfs/dbraw/zinc/91/24/94/519912494.db2.gz USQVYMBYGDAWJZ-UHFFFAOYSA-N 1 1 272.396 2.165 10 30 CEEEMO CCN[C@@](C)(C#N)C[C@H](C)[N@@H+](C)C1CCN(CC)CC1 ZINC000068612943 520131545 /nfs/dbraw/zinc/13/15/45/520131545.db2.gz QEIJOGRRZNNTIH-GOEBONIOSA-N 1 1 280.460 2.073 10 30 CEEEMO CCN[C@@](C)(C#N)C[C@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000068612943 520131558 /nfs/dbraw/zinc/13/15/58/520131558.db2.gz QEIJOGRRZNNTIH-GOEBONIOSA-N 1 1 280.460 2.073 10 30 CEEEMO C[N@@H+](Cc1ccc(F)c(C#CCO)c1)[C@H]1CCSC1 ZINC000049617841 523238088 /nfs/dbraw/zinc/23/80/88/523238088.db2.gz AKUHVDAWEGZUSV-AWEZNQCLSA-N 1 1 279.380 2.107 10 30 CEEEMO COc1ccc(C#CCO)cc1Cn1cc[nH+]c1C(C)C ZINC000049619220 523519292 /nfs/dbraw/zinc/51/92/92/523519292.db2.gz FOFCYLYLRSQTDT-UHFFFAOYSA-N 1 1 284.359 2.407 10 30 CEEEMO COc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1C#CCO ZINC000049615731 524026417 /nfs/dbraw/zinc/02/64/17/524026417.db2.gz RZHBAODKPVWIGG-AWEZNQCLSA-N 1 1 273.376 2.413 10 30 CEEEMO COc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1C#CCO ZINC000049616062 524029687 /nfs/dbraw/zinc/02/96/87/524029687.db2.gz QGGHHWIAZAMYGF-AWEZNQCLSA-N 1 1 273.376 2.271 10 30 CEEEMO C[C@H]1CC[N@@H+](Cc2ccc(C#CCCO)cc2F)C1 ZINC000049613598 524295984 /nfs/dbraw/zinc/29/59/84/524295984.db2.gz UKTUWOQZOWCBEP-ZDUSSCGKSA-N 1 1 261.340 2.401 10 30 CEEEMO C[C@@H](CN1CCCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC000049180282 524592835 /nfs/dbraw/zinc/59/28/35/524592835.db2.gz WBCZNZGXVDFUPH-LBPRGKRZSA-N 1 1 261.344 2.271 10 30 CEEEMO CCC[C@H](C#N)N1CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000088760006 535573601 /nfs/dbraw/zinc/57/36/01/535573601.db2.gz KQAGSBPWGQSYOA-OAHLLOKOSA-N 1 1 287.411 2.162 10 30 CEEEMO COC(=O)[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000234551224 624161401 /nfs/dbraw/zinc/16/14/01/624161401.db2.gz ZWOHZKAYQAUBRQ-STQMWFEESA-N 1 1 266.385 2.447 10 30 CEEEMO N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061892070 639728223 /nfs/dbraw/zinc/72/82/23/639728223.db2.gz VQHLRPGGDAHGFX-UKRRQHHQSA-N 1 1 255.321 2.371 10 30 CEEEMO C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000036100427 361828403 /nfs/dbraw/zinc/82/84/03/361828403.db2.gz PXBCUDHAVCBPQP-SFHVURJKSA-N 1 1 289.419 2.464 10 30 CEEEMO C=CCC[C@@H](O)C[N@H+](C)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147304 361831382 /nfs/dbraw/zinc/83/13/82/361831382.db2.gz ASDYXGPDSLHJGF-HZPDHXFCSA-N 1 1 288.391 2.439 10 30 CEEEMO C#CC[N@H+](CCC)[C@H]1COc2c(cccc2OC)C1 ZINC000038600304 343434214 /nfs/dbraw/zinc/43/42/14/343434214.db2.gz JHYWERUDKHLBRS-CQSZACIVSA-N 1 1 259.349 2.344 10 30 CEEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccnc(C#N)c1 ZINC000251755342 344637500 /nfs/dbraw/zinc/63/75/00/344637500.db2.gz LMXYIOCQBKUJEI-CJNGLKHVSA-N 1 1 270.380 2.012 10 30 CEEEMO Cc1ccc([NH+]=C([O-])N(C)C[C@@H]2CCc3[nH+]ccn3C2)nc1 ZINC000328635129 344757126 /nfs/dbraw/zinc/75/71/26/344757126.db2.gz UNLXABSXYFKEHF-ZDUSSCGKSA-N 1 1 299.378 2.326 10 30 CEEEMO Cc1cc(N(C)C[C@H]2CCc3[nH+]ccn3C2)c(C#N)c(C)n1 ZINC000328640189 344757434 /nfs/dbraw/zinc/75/74/34/344757434.db2.gz XHPIIHHLIPNHHF-CQSZACIVSA-N 1 1 295.390 2.465 10 30 CEEEMO Cc1ccncc1[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000328628945 344756097 /nfs/dbraw/zinc/75/60/97/344756097.db2.gz OFRXKLMXIJJYRY-LBPRGKRZSA-N 1 1 285.351 2.175 10 30 CEEEMO COC[C@H](C)[N@@H+](C)[C@@H](C)C[C@@](C)(C#N)NC(C)C ZINC000084293301 178844937 /nfs/dbraw/zinc/84/49/37/178844937.db2.gz NSKZVBFUMHXWRP-IHRRRGAJSA-N 1 1 255.406 2.012 10 30 CEEEMO CC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000061891121 362697266 /nfs/dbraw/zinc/69/72/66/362697266.db2.gz YLGUIYULEAKQNC-ZFWWWQNUSA-N 1 1 257.337 2.427 10 30 CEEEMO COc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)cc2c1OCCO2 ZINC000061892545 362697775 /nfs/dbraw/zinc/69/77/75/362697775.db2.gz ZBDMHBWAGRNJMU-STQMWFEESA-N 1 1 288.347 2.248 10 30 CEEEMO C=CC[N@@H+]1C[C@@H](Cc2ccccc2)NC[C@@H]1C1CC1 ZINC000085489660 179081428 /nfs/dbraw/zinc/08/14/28/179081428.db2.gz FMKVBHXFQOMWQV-IAGOWNOFSA-N 1 1 256.393 2.468 10 30 CEEEMO C=CC[N@H+]1C[C@@H](Cc2ccccc2)NC[C@@H]1C1CC1 ZINC000085489660 179081431 /nfs/dbraw/zinc/08/14/31/179081431.db2.gz FMKVBHXFQOMWQV-IAGOWNOFSA-N 1 1 256.393 2.468 10 30 CEEEMO Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1C#N ZINC000599437540 346520110 /nfs/dbraw/zinc/52/01/10/346520110.db2.gz SFCYXRVIXTZKKY-USXIJHARSA-N 1 1 270.376 2.460 10 30 CEEEMO COC[C@H](C)[N@@H+](C)Cc1ccc(C#CCCO)cc1F ZINC000049613813 522595507 /nfs/dbraw/zinc/59/55/07/522595507.db2.gz JCRSWYFJXZQSQD-ZDUSSCGKSA-N 1 1 279.355 2.026 10 30 CEEEMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000128472781 187371870 /nfs/dbraw/zinc/37/18/70/187371870.db2.gz BSKBLSKKVIPENQ-MRXNPFEDSA-N 1 1 295.386 2.422 10 30 CEEEMO N#CC1(c2ccccc2)CC(N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000086037743 179221585 /nfs/dbraw/zinc/22/15/85/179221585.db2.gz FDBJHQDWMHQOSP-KLHKWILBSA-N 1 1 281.403 2.437 10 30 CEEEMO N#CC1(c2ccccc2)CC(N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000086037743 179221587 /nfs/dbraw/zinc/22/15/87/179221587.db2.gz 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CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(C#N)cc1 ZINC000092630826 364089239 /nfs/dbraw/zinc/08/92/39/364089239.db2.gz XNJRUHAYRGHMNQ-INIZCTEOSA-N 1 1 285.391 2.043 10 30 CEEEMO CC[N@H+]1CCC[C@H]1CN(C)CCOc1cccc(C#N)c1 ZINC000092628644 364089774 /nfs/dbraw/zinc/08/97/74/364089774.db2.gz TWOPDMBKOQEXIU-INIZCTEOSA-N 1 1 287.407 2.353 10 30 CEEEMO CC[N@H+]1CCC[C@H]1CN(C)CCOc1ccc(C#N)cc1 ZINC000092628695 364090920 /nfs/dbraw/zinc/09/09/20/364090920.db2.gz LWZFSKRULDSSFA-INIZCTEOSA-N 1 1 287.407 2.353 10 30 CEEEMO C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000245881435 370883830 /nfs/dbraw/zinc/88/38/30/370883830.db2.gz KVYUMIOHOYFHGD-CABCVRRESA-N 1 1 297.443 2.093 10 30 CEEEMO C=CCCC[C@@H](C)NC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000245881435 370883834 /nfs/dbraw/zinc/88/38/34/370883834.db2.gz KVYUMIOHOYFHGD-CABCVRRESA-N 1 1 297.443 2.093 10 30 CEEEMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nnc2n1CCCC2 ZINC000173361577 367902580 /nfs/dbraw/zinc/90/25/80/367902580.db2.gz 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175324726 /nfs/dbraw/zinc/32/47/26/175324726.db2.gz CSLSNIUKWQNLQL-UONOGXRCSA-N 1 1 255.406 2.015 10 30 CEEEMO COCC[N@@H+](CC[C@@](C)(C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000045182601 175325640 /nfs/dbraw/zinc/32/56/40/175325640.db2.gz LGZOQJTVTKRCNJ-HOCLYGCPSA-N 1 1 281.444 2.404 10 30 CEEEMO CCN1CCC([N@H+](C)CC[C@](C)(C#N)NC(C)C)CC1 ZINC000045182547 175325915 /nfs/dbraw/zinc/32/59/15/175325915.db2.gz ILKJDFMFLDAODW-MRXNPFEDSA-N 1 1 280.460 2.073 10 30 CEEEMO CCN1CCC([N@@H+](C)CC[C@](C)(C#N)NC(C)C)CC1 ZINC000045182547 175325916 /nfs/dbraw/zinc/32/59/16/175325916.db2.gz ILKJDFMFLDAODW-MRXNPFEDSA-N 1 1 280.460 2.073 10 30 CEEEMO C[C@@]([NH3+])(C#N)CCSc1ccccc1[N+](=O)[O-] ZINC000045216200 175329599 /nfs/dbraw/zinc/32/95/99/175329599.db2.gz ZXCMWDXYBQTKKS-NSHDSACASA-N 1 1 251.311 2.318 10 30 CEEEMO CCN[C@@](C)(C#N)CCC[N@@H+](CC)[C@@H](C)COC ZINC000045314215 175356994 /nfs/dbraw/zinc/35/69/94/175356994.db2.gz SHDQPIQLZGXJNH-UONOGXRCSA-N 1 1 255.406 2.015 10 30 CEEEMO CCN[C@@](C)(C#N)CCC[N@@H+](CCN(C)C)CC(C)C ZINC000045313991 175357210 /nfs/dbraw/zinc/35/72/10/175357210.db2.gz FOTVOYDNHRMLTB-MRXNPFEDSA-N 1 1 282.476 2.178 10 30 CEEEMO C[C@]([NH3+])(C#N)CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000045331341 175360187 /nfs/dbraw/zinc/36/01/87/175360187.db2.gz NDZDHSXEMQBRSQ-GFCCVEGCSA-N 1 1 267.260 2.134 10 30 CEEEMO COCCc1ccc(OCCC[C@@](C)([NH3+])C#N)cc1 ZINC000045329901 175360241 /nfs/dbraw/zinc/36/02/41/175360241.db2.gz YHMVYJPMMTTXPT-OAHLLOKOSA-N 1 1 262.353 2.275 10 30 CEEEMO C[C@]([NH3+])(C#N)CCCCOc1ccc(C#N)cc1[N+](=O)[O-] ZINC000045332398 175360828 /nfs/dbraw/zinc/36/08/28/175360828.db2.gz HATHPQGCRMFVNR-CQSZACIVSA-N 1 1 288.307 2.257 10 30 CEEEMO C[NH+](C)CCN1C(=O)c2c(ccc3ccccc23)[C@@H]1C#N ZINC000071679883 176244198 /nfs/dbraw/zinc/24/41/98/176244198.db2.gz XYTQBGVJJBQVER-HNNXBMFYSA-N 1 1 279.343 2.422 10 30 CEEEMO CC[N@@H+](CCOc1ccc(CC#N)cc1)CC(C)(C)O ZINC000078748398 177381550 /nfs/dbraw/zinc/38/15/50/177381550.db2.gz VAZSMPRSVZYCAH-UHFFFAOYSA-N 1 1 276.380 2.224 10 30 CEEEMO N#Cc1ccc(OCCN2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000204864415 419459126 /nfs/dbraw/zinc/45/91/26/419459126.db2.gz GIYOENKARHSWRZ-INIZCTEOSA-N 1 1 285.391 2.107 10 30 CEEEMO CC[N@H+]1CCC[C@H]1CN(C)c1cc(C)ncc1C#N ZINC000399569670 266147976 /nfs/dbraw/zinc/14/79/76/266147976.db2.gz ICOLEZSEHDRLFP-AWEZNQCLSA-N 1 1 258.369 2.182 10 30 CEEEMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000398780041 268249110 /nfs/dbraw/zinc/24/91/10/268249110.db2.gz JTRGQGXJQJIKLZ-HRCADAONSA-N 1 1 256.349 2.151 10 30 CEEEMO CCn1cnnc1[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000173877848 329153472 /nfs/dbraw/zinc/15/34/72/329153472.db2.gz NEBYWTLTOLFRJN-CYBMUJFWSA-N 1 1 293.440 2.124 10 30 CEEEMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000185831477 333149808 /nfs/dbraw/zinc/14/98/08/333149808.db2.gz KMNBOBCRPPTTSV-MJBXVCDLSA-N 1 1 252.402 2.434 10 30 CEEEMO CC(C)N[C@](C)(C#N)C[C@H](C)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000068615235 519739144 /nfs/dbraw/zinc/73/91/44/519739144.db2.gz YSZIWSDAHVDJFI-XHSDSOJGSA-N 1 1 280.460 2.071 10 30 CEEEMO CC(C)N[C@](C)(C#N)C[C@H](C)[N@H+]1CCC[C@@H]1CN(C)C ZINC000068615235 519739146 /nfs/dbraw/zinc/73/91/46/519739146.db2.gz YSZIWSDAHVDJFI-XHSDSOJGSA-N 1 1 280.460 2.071 10 30 CEEEMO CCN[C@@](C)(C#N)C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000068613015 520128857 /nfs/dbraw/zinc/12/88/57/520128857.db2.gz KXIDTVWWRAATRQ-IJEWVQPXSA-N 1 1 281.444 2.404 10 30 CEEEMO CCC[N@@H+](CC)Cc1ccc(OC)c(C#CCO)c1 ZINC000049617330 521615416 /nfs/dbraw/zinc/61/54/16/521615416.db2.gz LBOXLJPSXDRJRT-UHFFFAOYSA-N 1 1 261.365 2.271 10 30 CEEEMO CC[C@H]1CCC[N@H+]1Cc1ccc(OC)c(C#CCO)c1 ZINC000049615148 523107393 /nfs/dbraw/zinc/10/73/93/523107393.db2.gz KGRCPKFGNITPFN-INIZCTEOSA-N 1 1 273.376 2.413 10 30 CEEEMO C[N@@H+](Cc1ccc(C#CCO)cc1F)[C@H]1CCSC1 ZINC000049617831 523208491 /nfs/dbraw/zinc/20/84/91/523208491.db2.gz ZALHEYDTUNVTKO-AWEZNQCLSA-N 1 1 279.380 2.107 10 30 CEEEMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1C#CCO ZINC000049614682 523344834 /nfs/dbraw/zinc/34/48/34/523344834.db2.gz KFKVMCIQMFOQAG-YOEHRIQHSA-N 1 1 273.376 2.030 10 30 CEEEMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1C#CCCO ZINC000049614660 523351164 /nfs/dbraw/zinc/35/11/64/523351164.db2.gz BVYMEQXENTWXCA-QAPCUYQASA-N 1 1 287.403 2.420 10 30 CEEEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049614671 523509014 /nfs/dbraw/zinc/50/90/14/523509014.db2.gz HELKCHIDCVASGJ-MAUKXSAKSA-N 1 1 287.403 2.420 10 30 CEEEMO C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#CCO)C1 ZINC000049616075 524235579 /nfs/dbraw/zinc/23/55/79/524235579.db2.gz QNQNKLWPWGIVSY-CYBMUJFWSA-N 1 1 261.340 2.401 10 30 CEEEMO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc(C#N)c1 ZINC000181870410 525618218 /nfs/dbraw/zinc/61/82/18/525618218.db2.gz YVIFFMFEEBFXGQ-FZMZJTMJSA-N 1 1 267.336 2.335 10 30 CEEEMO COc1ccc(NC(=[NH2+])NC[C@@H]2CCCN2C)cc1Cl ZINC000262007283 629429119 /nfs/dbraw/zinc/42/91/19/629429119.db2.gz RYBQHBGPRLZWJS-NSHDSACASA-N 1 1 296.802 2.169 10 30 CEEEMO Cc1c(C[NH2+]Cc2cc(C#N)ccc2F)cnn1C ZINC000229813773 639720876 /nfs/dbraw/zinc/72/08/76/639720876.db2.gz VPWMTSGQINZNDG-UHFFFAOYSA-N 1 1 258.300 2.029 10 30 CEEEMO C#CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061891679 639728101 /nfs/dbraw/zinc/72/81/01/639728101.db2.gz MHVBVUZOTTVRDM-HIFRSBDPSA-N 1 1 254.333 2.480 10 30 CEEEMO CCCCCCC[C@H](C)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000152594398 640281762 /nfs/dbraw/zinc/28/17/62/640281762.db2.gz WFXKRZMOFJEPEN-UONOGXRCSA-N 1 1 270.417 2.088 10 30 CEEEMO SCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000034136065 361787614 /nfs/dbraw/zinc/78/76/14/361787614.db2.gz MRGJGOSAUFGMQF-UHFFFAOYSA-N 1 1 250.411 2.124 10 30 CEEEMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000125237874 187175857 /nfs/dbraw/zinc/17/58/57/187175857.db2.gz YPDKXCBIBORESX-JKSUJKDBSA-N 1 1 289.423 2.451 10 30 CEEEMO Cc1cc(C#N)cc(N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)n1 ZINC000228795032 344563567 /nfs/dbraw/zinc/56/35/67/344563567.db2.gz OKRULNDUFUXAPS-UKRRQHHQSA-N 1 1 270.380 2.325 10 30 CEEEMO Nc1nc(N)c2cc(N=Cc3ccc(C=O)cc3)ccc2[nH+]1 ZINC000584592620 344960362 /nfs/dbraw/zinc/96/03/62/344960362.db2.gz VFNIOBHHPGXILH-UFWORHAWSA-N 1 1 291.314 2.018 10 30 CEEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000061891686 362697717 /nfs/dbraw/zinc/69/77/17/362697717.db2.gz ZQVMUJSAKMYFAB-CHWSQXEVSA-N 1 1 258.321 2.240 10 30 CEEEMO CC[N@H+]1CCC[C@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000085920128 179199797 /nfs/dbraw/zinc/19/97/97/179199797.db2.gz VDMQNVLFIXZBDY-LBPRGKRZSA-N 1 1 281.363 2.398 10 30 CEEEMO Cc1cc(C#N)ccc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000129745581 365892091 /nfs/dbraw/zinc/89/20/91/365892091.db2.gz SFMHJYGYFSHLFH-BBRMVZONSA-N 1 1 285.391 2.325 10 30 CEEEMO COc1cccc([C@H](O)C[N@H+](CCC#N)C(C)C)c1 ZINC000086507352 179303419 /nfs/dbraw/zinc/30/34/19/179303419.db2.gz PPDMXYBXYJFFRO-OAHLLOKOSA-N 1 1 262.353 2.353 10 30 CEEEMO COc1cccc([C@H](O)C[N@@H+](CCC#N)C(C)C)c1 ZINC000086507352 179303421 /nfs/dbraw/zinc/30/34/21/179303421.db2.gz PPDMXYBXYJFFRO-OAHLLOKOSA-N 1 1 262.353 2.353 10 30 CEEEMO C[N@H+]1CCC[C@H](Nc2ccc(OCC#N)cc2)CC1 ZINC000086817283 179344481 /nfs/dbraw/zinc/34/44/81/179344481.db2.gz IUGVHFWVTIBPMF-ZDUSSCGKSA-N 1 1 259.353 2.485 10 30 CEEEMO N#Cc1ccc([C@@H]2c3ccccc3CC[N@@H+]2CCO)cc1 ZINC000616679264 348558240 /nfs/dbraw/zinc/55/82/40/348558240.db2.gz QXZPCSABUXQIJD-GOSISDBHSA-N 1 1 278.355 2.498 10 30 CEEEMO CC[C@H](CC#N)[NH2+]Cc1sccc1NC(C)=O ZINC000090960633 180076429 /nfs/dbraw/zinc/07/64/29/180076429.db2.gz IGVTWTGCTCPCJQ-SNVBAGLBSA-N 1 1 251.355 2.488 10 30 CEEEMO C[N@@H+](Cc1ccnc(C#N)c1)C1CCC2(CC1)OCCO2 ZINC000091853779 180273864 /nfs/dbraw/zinc/27/38/64/180273864.db2.gz IHALJFKCPXKQJH-UHFFFAOYSA-N 1 1 287.363 2.071 10 30 CEEEMO N#C[C@]1([C@@]2(O)CC[N@H+](C3CC3)C2)CCCc2ccccc21 ZINC000091878849 180279076 /nfs/dbraw/zinc/27/90/76/180279076.db2.gz LNEVBSZVCBXVQM-QZTJIDSGSA-N 1 1 282.387 2.383 10 30 CEEEMO N#CCC[C@@H](C#N)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105903906 186086909 /nfs/dbraw/zinc/08/69/09/186086909.db2.gz CSOSQHMMRBWRIN-HNNXBMFYSA-N 1 1 271.368 2.039 10 30 CEEEMO CN(c1ccc(C#N)cc1)c1ccc2c(c1)NC(=O)[C@H]2[NH3+] ZINC000108691301 186227667 /nfs/dbraw/zinc/22/76/67/186227667.db2.gz OZHRVZSQWBLRIB-HNNXBMFYSA-N 1 1 278.315 2.278 10 30 CEEEMO CC[C@@H](C#N)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000109455140 186253804 /nfs/dbraw/zinc/25/38/04/186253804.db2.gz VNVMDQBZKGJIIB-INIZCTEOSA-N 1 1 257.381 2.415 10 30 CEEEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)C1 ZINC000069606456 362984368 /nfs/dbraw/zinc/98/43/68/362984368.db2.gz WYMMDMVDQOUXCG-CQSZACIVSA-N 1 1 286.379 2.473 10 30 CEEEMO C=CCC[C@H](O)C[NH2+]C1(c2noc(CC)n2)CCCC1 ZINC000132038411 366112738 /nfs/dbraw/zinc/11/27/38/366112738.db2.gz OOIPIQWOBOTSDH-LBPRGKRZSA-N 1 1 279.384 2.318 10 30 CEEEMO N#Cc1ccc([C@@H](N)[C@@H]([NH3+])c2ccc(C#N)cc2)cc1 ZINC000039192885 283186183 /nfs/dbraw/zinc/18/61/83/283186183.db2.gz MESREGXFTNLKRB-IYBDPMFKSA-N 1 1 262.316 2.130 10 30 CEEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccc(C#N)c1 ZINC000177137790 189031624 /nfs/dbraw/zinc/03/16/24/189031624.db2.gz OBTSEZFKFZIDNZ-INIZCTEOSA-N 1 1 294.358 2.368 10 30 CEEEMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116291955 365047594 /nfs/dbraw/zinc/04/75/94/365047594.db2.gz JAJSWLVCAYBZFK-CYBMUJFWSA-N 1 1 275.352 2.179 10 30 CEEEMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116291955 365047600 /nfs/dbraw/zinc/04/76/00/365047600.db2.gz JAJSWLVCAYBZFK-CYBMUJFWSA-N 1 1 275.352 2.179 10 30 CEEEMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000120673924 365459275 /nfs/dbraw/zinc/45/92/75/365459275.db2.gz VYVYWIYXZMVQAH-AWEZNQCLSA-N 1 1 296.374 2.290 10 30 CEEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000192025993 369765677 /nfs/dbraw/zinc/76/56/77/369765677.db2.gz LMMYVYXAQWBPCQ-IUODEOHRSA-N 1 1 273.355 2.366 10 30 CEEEMO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2ccc(C#N)s2)C1 ZINC000246859578 371021720 /nfs/dbraw/zinc/02/17/20/371021720.db2.gz FOOSOWDAPRLCOZ-BXUZGUMPSA-N 1 1 263.410 2.438 10 30 CEEEMO 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272.396 2.139 10 30 CEEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CCCC#N)C1 ZINC000195278797 262248594 /nfs/dbraw/zinc/24/85/94/262248594.db2.gz ZNJMVKDOYRCQBV-INIZCTEOSA-N 1 1 272.396 2.139 10 30 CEEEMO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1nnc2n1CCCC2 ZINC000248914438 329902312 /nfs/dbraw/zinc/90/23/12/329902312.db2.gz VWRCDPDBQNDVGG-XQQFMLRXSA-N 1 1 273.384 2.347 10 30 CEEEMO C=CCC[C@H](CC)[NH2+]C1CC([N@@H+](CC)CC(=O)[O-])C1 ZINC000263475518 330057215 /nfs/dbraw/zinc/05/72/15/330057215.db2.gz FGAOUNBVPRQBQO-HSBZDZAISA-N 1 1 268.401 2.258 10 30 CEEEMO C=C[C@](C)(CC)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000134936412 334108850 /nfs/dbraw/zinc/10/88/50/334108850.db2.gz HGMRJPCFNMVYNT-UKRRQHHQSA-N 1 1 250.386 2.285 10 30 CEEEMO C=C[C@](C)(CC)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000134936412 334108851 /nfs/dbraw/zinc/10/88/51/334108851.db2.gz HGMRJPCFNMVYNT-UKRRQHHQSA-N 1 1 250.386 2.285 10 30 CEEEMO CCCN[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)C1CCN(C)CC1 ZINC000068611454 520031800 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C[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1N ZINC000068755942 523449701 /nfs/dbraw/zinc/44/97/01/523449701.db2.gz SJVODGQWYZCSIG-UHFFFAOYSA-N 1 1 252.321 2.167 10 30 CEEEMO C[N@H+](Cc1ccncc1)Cc1ccc(F)cc1C#CCO ZINC000049613171 523460772 /nfs/dbraw/zinc/46/07/72/523460772.db2.gz JYLOVQLCKOVRJU-UHFFFAOYSA-N 1 1 284.334 2.197 10 30 CEEEMO C[N@@H+](Cc1ccncc1)Cc1ccc(F)cc1C#CCO ZINC000049613171 523460777 /nfs/dbraw/zinc/46/07/77/523460777.db2.gz JYLOVQLCKOVRJU-UHFFFAOYSA-N 1 1 284.334 2.197 10 30 CEEEMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc(C#CCO)c1 ZINC000049614703 523516657 /nfs/dbraw/zinc/51/66/57/523516657.db2.gz ZXCCEKGUVQBQRB-RHSMWYFYSA-N 1 1 273.376 2.030 10 30 CEEEMO COc1ccc(CN(C)Cc2ccoc2)cc1C#CC[NH3+] ZINC000049609736 524005490 /nfs/dbraw/zinc/00/54/90/524005490.db2.gz XDSILFXFMQEYMZ-UHFFFAOYSA-N 1 1 284.359 2.230 10 30 CEEEMO C[C@@H]1CCCC[N@H+]1CCOc1cccc(C#CCO)c1 ZINC000049615710 524111886 /nfs/dbraw/zinc/11/18/86/524111886.db2.gz NOZRUAFARXWZHT-OAHLLOKOSA-N 1 1 273.376 2.284 10 30 CEEEMO C[C@H](C[C@](C)(C#N)NC1CC1)[N@@H+](C)CC1CCOCC1 ZINC000068616540 524652184 /nfs/dbraw/zinc/65/21/84/524652184.db2.gz YCUNBVGRWZYXFG-CZUORRHYSA-N 1 1 279.428 2.158 10 30 CEEEMO Cn1cc[nH+]c1CCNc1cc(C#N)c2ccccc2n1 ZINC000068770173 527430427 /nfs/dbraw/zinc/43/04/27/527430427.db2.gz FUWNXEQXCMLZMD-UHFFFAOYSA-N 1 1 277.331 2.495 10 30 CEEEMO C#CCCCCC(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000180188789 641426242 /nfs/dbraw/zinc/42/62/42/641426242.db2.gz WTIYAXBCBBCFJM-MRXNPFEDSA-N 1 1 294.439 2.139 10 30 CEEEMO CC[N@@H+]1CCO[C@H](CNc2ccc(C#N)c(Cl)c2)C1 ZINC000096474838 344240079 /nfs/dbraw/zinc/24/00/79/344240079.db2.gz WTUBKLXDDQRDEX-CYBMUJFWSA-N 1 1 279.771 2.344 10 30 CEEEMO CC[N@H+]1CCO[C@H](CNc2ccc(C#N)c(Cl)c2)C1 ZINC000096474838 344240082 /nfs/dbraw/zinc/24/00/82/344240082.db2.gz WTUBKLXDDQRDEX-CYBMUJFWSA-N 1 1 279.771 2.344 10 30 CEEEMO C[C@H](CNC1CC(C#N)(c2ccccc2)C1)[NH+](C)C ZINC000086037363 179221094 /nfs/dbraw/zinc/22/10/94/179221094.db2.gz QOGFCPSXUZLAKH-IUDNXUCKSA-N 1 1 257.381 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186254180 /nfs/dbraw/zinc/25/41/80/186254180.db2.gz XYXSNBOBMYVNTH-LBPRGKRZSA-N 1 1 263.410 2.340 10 30 CEEEMO CC[C@H]1CN(Cc2cc(C#CCCO)cs2)CC[N@H+]1C ZINC000110734563 186318064 /nfs/dbraw/zinc/31/80/64/186318064.db2.gz LDLDGTMLQDWUJR-HNNXBMFYSA-N 1 1 292.448 2.008 10 30 CEEEMO CC[C@H]1C[N@H+](Cc2cc(C#CCCO)cs2)CCN1C ZINC000110734563 186318065 /nfs/dbraw/zinc/31/80/65/186318065.db2.gz LDLDGTMLQDWUJR-HNNXBMFYSA-N 1 1 292.448 2.008 10 30 CEEEMO CC[C@H]1C[N@@H+](Cc2cc(C#CCCO)cs2)CCN1C ZINC000110734563 186318067 /nfs/dbraw/zinc/31/80/67/186318067.db2.gz LDLDGTMLQDWUJR-HNNXBMFYSA-N 1 1 292.448 2.008 10 30 CEEEMO CN(C)CCC[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000111137153 186357836 /nfs/dbraw/zinc/35/78/36/186357836.db2.gz MEVYJGGHUKTKNN-UHFFFAOYSA-N 1 1 275.396 2.211 10 30 CEEEMO CN(C)CCC[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000111137153 186357837 /nfs/dbraw/zinc/35/78/37/186357837.db2.gz MEVYJGGHUKTKNN-UHFFFAOYSA-N 1 1 275.396 2.211 10 30 CEEEMO CN(CCCOc1ccc(C#N)cc1)CCC[NH+](C)C ZINC000111137153 186357839 /nfs/dbraw/zinc/35/78/39/186357839.db2.gz MEVYJGGHUKTKNN-UHFFFAOYSA-N 1 1 275.396 2.211 10 30 CEEEMO CC(C)N[C@](C)(C#N)CC[N@@H+](C)CC1CCOCC1 ZINC000111169306 186365483 /nfs/dbraw/zinc/36/54/83/186365483.db2.gz FUTLWNRCVUTTAF-HNNXBMFYSA-N 1 1 267.417 2.015 10 30 CEEEMO C=C(Cl)CC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000685958854 540657816 /nfs/dbraw/zinc/65/78/16/540657816.db2.gz CXHJRTXVTWGADI-CYBMUJFWSA-N 1 1 266.772 2.157 10 30 CEEEMO C=C(Cl)CC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000685958854 540657822 /nfs/dbraw/zinc/65/78/22/540657822.db2.gz CXHJRTXVTWGADI-CYBMUJFWSA-N 1 1 266.772 2.157 10 30 CEEEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC000092628672 364089429 /nfs/dbraw/zinc/08/94/29/364089429.db2.gz RDEHAXZXQYQEPD-INIZCTEOSA-N 1 1 257.381 2.474 10 30 CEEEMO CCOCC[N@H+]1CCN(CC#Cc2ccccc2)C[C@@H]1C ZINC000192001444 369761257 /nfs/dbraw/zinc/76/12/57/369761257.db2.gz PVTHVRAQFFVRIB-KRWDZBQOSA-N 1 1 286.419 2.081 10 30 CEEEMO C=C(Br)CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219248834 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CCc1onc(C)c1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000328634547 376866109 /nfs/dbraw/zinc/86/61/09/376866109.db2.gz UDRWBQCHWXZNQO-NSHDSACASA-N 1 1 288.351 2.309 10 30 CEEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1C#N ZINC000096537356 394697861 /nfs/dbraw/zinc/69/78/61/394697861.db2.gz OYDCXCHXAJWDBL-SMDDNHRTSA-N 1 1 286.335 2.139 10 30 CEEEMO CC[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H](C)C#N ZINC000114562722 394752379 /nfs/dbraw/zinc/75/23/79/394752379.db2.gz YMFDCWGHVPKVHM-GDBMZVCRSA-N 1 1 276.380 2.046 10 30 CEEEMO CC[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@H](C)C#N ZINC000114562722 394752383 /nfs/dbraw/zinc/75/23/83/394752383.db2.gz YMFDCWGHVPKVHM-GDBMZVCRSA-N 1 1 276.380 2.046 10 30 CEEEMO N#Cc1sc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc1Cl ZINC000278814562 394835791 /nfs/dbraw/zinc/83/57/91/394835791.db2.gz ZYELUQUEOOIAOH-SECBINFHSA-N 1 1 282.800 2.343 10 30 CEEEMO N#Cc1sc(N2CC[N@H+]3CCCC[C@@H]3C2)nc1Cl ZINC000278814562 394835798 /nfs/dbraw/zinc/83/57/98/394835798.db2.gz ZYELUQUEOOIAOH-SECBINFHSA-N 1 1 282.800 2.343 10 30 CEEEMO C=C(Br)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000125288505 394842645 /nfs/dbraw/zinc/84/26/45/394842645.db2.gz AUQGCULFZIBMHW-LLVKDONJSA-N 1 1 259.191 2.065 10 30 CEEEMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000186218217 395286632 /nfs/dbraw/zinc/28/66/32/395286632.db2.gz DKLKZAZYBVQMGX-INIZCTEOSA-N 1 1 281.363 2.295 10 30 CEEEMO CC[NH+](CC)CC(=O)N(O)c1c(C)cccc1C ZINC000005846333 170146721 /nfs/dbraw/zinc/14/67/21/170146721.db2.gz ZNMWLDXRGOUJHH-UHFFFAOYSA-N 1 1 250.342 2.367 10 30 CEEEMO OCC#Cc1ccccc1C[N@H+](CCO)C1CCCCC1 ZINC000042514700 174765912 /nfs/dbraw/zinc/76/59/12/174765912.db2.gz JNQNPHMTCURIBO-UHFFFAOYSA-N 1 1 287.403 2.157 10 30 CEEEMO CC[N@H+]1CC[C@H](CNC(=O)C2(C#N)CCCCCC2)C1 ZINC000044765985 175249037 /nfs/dbraw/zinc/24/90/37/175249037.db2.gz YUBYDVKYPLEGOO-CQSZACIVSA-N 1 1 277.412 2.309 10 30 CEEEMO COCC[N@@H+](CC[C@](C)(C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000045182603 175325645 /nfs/dbraw/zinc/32/56/45/175325645.db2.gz LGZOQJTVTKRCNJ-GOEBONIOSA-N 1 1 281.444 2.404 10 30 CEEEMO CC(C)N[C@](C)(C#N)CCCC[N@H+]1CCCN(C)CC1 ZINC000045308407 175356817 /nfs/dbraw/zinc/35/68/17/175356817.db2.gz APYQGPXFWCRTOW-INIZCTEOSA-N 1 1 280.460 2.074 10 30 CEEEMO CC(C)N[C@](C)(C#N)CCCCN1CCC[N@H+](C)CC1 ZINC000045308407 175356818 /nfs/dbraw/zinc/35/68/18/175356818.db2.gz APYQGPXFWCRTOW-INIZCTEOSA-N 1 1 280.460 2.074 10 30 CEEEMO CC(C)N[C@](C)(C#N)CCCCN1CCC[N@@H+](C)CC1 ZINC000045308407 175356819 /nfs/dbraw/zinc/35/68/19/175356819.db2.gz APYQGPXFWCRTOW-INIZCTEOSA-N 1 1 280.460 2.074 10 30 CEEEMO CCN[C@@](C)(C#N)CCCC[N@@H+](CCCOC)CCOC ZINC000045317062 175357899 /nfs/dbraw/zinc/35/78/99/175357899.db2.gz UFEMDYTUWBFUMI-MRXNPFEDSA-N 1 1 299.459 2.033 10 30 CEEEMO CCN[C@@](C)(C#N)CCC[NH+]1CCN(C(C)(C)C)CC1 ZINC000045318442 175359069 /nfs/dbraw/zinc/35/90/69/175359069.db2.gz SYWDPLWHGMXPGK-MRXNPFEDSA-N 1 1 280.460 2.074 10 30 CEEEMO Cc1cc(OCCC[C@](C)([NH3+])C#N)ccc1[N+](=O)[O-] ZINC000045331279 175360112 /nfs/dbraw/zinc/36/01/12/175360112.db2.gz ROEXJWXOQIBLAJ-ZDUSSCGKSA-N 1 1 263.297 2.303 10 30 CEEEMO C[NH+](C)CCCCN1C(=O)c2ccccc2C1C#N ZINC000071677971 176242800 /nfs/dbraw/zinc/24/28/00/176242800.db2.gz JKGZSCQTMLDFKV-AWEZNQCLSA-N 1 1 257.337 2.049 10 30 CEEEMO C[C@@H](C#N)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000214232618 260256429 /nfs/dbraw/zinc/25/64/29/260256429.db2.gz DFRMAHSRJQHAPQ-KKTNHOPESA-N 1 1 255.365 2.229 10 30 CEEEMO C=CCC1(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)CCC1 ZINC000249601577 261257361 /nfs/dbraw/zinc/25/73/61/261257361.db2.gz OLXYFZNKNMOJDL-GJZGRUSLSA-N 1 1 294.439 2.036 10 30 CEEEMO C[C@H]1CC[C@H](O)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000399257310 267224003 /nfs/dbraw/zinc/22/40/03/267224003.db2.gz RINAKCUOPDKIIZ-ZFWWWQNUSA-N 1 1 274.364 2.172 10 30 CEEEMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000398987009 270364696 /nfs/dbraw/zinc/36/46/96/270364696.db2.gz FXIKAAMJKXRTBQ-GUTXKFCHSA-N 1 1 274.339 2.290 10 30 CEEEMO COCC[N@H+]1CCN([C@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000249279996 280390741 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C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1nnc2n1CCCC2 ZINC000248914440 329902177 /nfs/dbraw/zinc/90/21/77/329902177.db2.gz VWRCDPDBQNDVGG-YNEHKIRRSA-N 1 1 273.384 2.347 10 30 CEEEMO C=CCCCCC[N@@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248823170 334318312 /nfs/dbraw/zinc/31/83/12/334318312.db2.gz YTLOMTLZOSAOMW-GJZGRUSLSA-N 1 1 254.418 2.120 10 30 CEEEMO C=CCCCCCN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248823170 334318313 /nfs/dbraw/zinc/31/83/13/334318313.db2.gz YTLOMTLZOSAOMW-GJZGRUSLSA-N 1 1 254.418 2.120 10 30 CEEEMO C=CCCCCCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248823170 334318314 /nfs/dbraw/zinc/31/83/14/334318314.db2.gz YTLOMTLZOSAOMW-GJZGRUSLSA-N 1 1 254.418 2.120 10 30 CEEEMO CC(C)[C@@H](C)[N@@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049618569 519791077 /nfs/dbraw/zinc/79/10/77/519791077.db2.gz KYZYMGLYKCLKKM-OAHLLOKOSA-N 1 1 275.392 2.386 10 30 CEEEMO CCCN[C@@](C)(C#N)C[C@H](C)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000068615194 520031644 /nfs/dbraw/zinc/03/16/44/520031644.db2.gz LJMPCZAWTGUISL-ARFHVFGLSA-N 1 1 280.460 2.073 10 30 CEEEMO CCCN[C@@](C)(C#N)C[C@H](C)[N@H+]1CCC[C@@H]1CN(C)C ZINC000068615194 520031651 /nfs/dbraw/zinc/03/16/51/520031651.db2.gz LJMPCZAWTGUISL-ARFHVFGLSA-N 1 1 280.460 2.073 10 30 CEEEMO CCOC1CCN(Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049609447 521657203 /nfs/dbraw/zinc/65/72/03/521657203.db2.gz YTUXWFZJAKHEBZ-UHFFFAOYSA-N 1 1 290.382 2.137 10 30 CEEEMO CN(C)C[C@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000061644198 521867433 /nfs/dbraw/zinc/86/74/33/521867433.db2.gz AJVZMHCVDZOLCD-MRXNPFEDSA-N 1 1 287.407 2.353 10 30 CEEEMO C[NH+](C)C[C@H]1CCCN1CCCOc1ccc(C#N)cc1 ZINC000061644198 521867438 /nfs/dbraw/zinc/86/74/38/521867438.db2.gz AJVZMHCVDZOLCD-MRXNPFEDSA-N 1 1 287.407 2.353 10 30 CEEEMO C[N@@H+](Cc1ccc(C#CCCO)cc1F)C1CCOCC1 ZINC000049613276 523204324 /nfs/dbraw/zinc/20/43/24/523204324.db2.gz QGFSSXRHKMGILC-UHFFFAOYSA-N 1 1 291.366 2.170 10 30 CEEEMO COCCC[N@@H+](CCOC)[C@H](C)C[C@](C)(C#N)NC(C)C ZINC000068612897 523257668 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