smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCCC1(CCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)N=N1 ZINC000952881151 792795705 /nfs/dbraw/zinc/79/57/05/792795705.db2.gz LAJWLGLGLACNLF-HUUCEWRRSA-N 1 1 302.422 2.475 50 30 DEEAMO C=CCCS(=O)(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000095420584 185360187 /nfs/dbraw/zinc/36/01/87/185360187.db2.gz QJKHOQNNZRGDJQ-INIZCTEOSA-N 1 1 308.447 2.099 50 30 DEEAMO CC(C)n1cc(C#N)c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000095434537 185364245 /nfs/dbraw/zinc/36/42/45/185364245.db2.gz UKDKDDCJGSVNBB-KGLIPLIRSA-N 1 1 316.409 2.036 50 30 DEEAMO COC(=O)CC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000071908325 401695625 /nfs/dbraw/zinc/69/56/25/401695625.db2.gz PMYSQYQQXZNBQF-INIZCTEOSA-N 1 1 302.374 2.102 50 30 DEEAMO C=CCC[C@H](C[N@@H+]1CCCN(C)CC1)Oc1ccc(C#N)nc1 ZINC000072426538 401710148 /nfs/dbraw/zinc/71/01/48/401710148.db2.gz YZWCXPDTRIADQD-GOSISDBHSA-N 1 1 314.433 2.304 50 30 DEEAMO C=CCC[C@H](CN1CCC[N@@H+](C)CC1)Oc1ccc(C#N)nc1 ZINC000072426538 401710150 /nfs/dbraw/zinc/71/01/50/401710150.db2.gz YZWCXPDTRIADQD-GOSISDBHSA-N 1 1 314.433 2.304 50 30 DEEAMO C=CCC[C@H](CN1CCC[N@H+](C)CC1)Oc1ccc(C#N)nc1 ZINC000072426538 401710151 /nfs/dbraw/zinc/71/01/51/401710151.db2.gz YZWCXPDTRIADQD-GOSISDBHSA-N 1 1 314.433 2.304 50 30 DEEAMO C[C@H]1C[C@H](C)C[NH+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000010897345 401772178 /nfs/dbraw/zinc/77/21/78/401772178.db2.gz DBGNIPISXIKCRE-KBPBESRZSA-N 1 1 310.401 2.398 50 30 DEEAMO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000078993170 401868803 /nfs/dbraw/zinc/86/88/03/401868803.db2.gz ZDHRNWFLBGNUCG-ZIAGYGMSSA-N 1 1 306.431 2.452 50 30 DEEAMO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000078993170 401868806 /nfs/dbraw/zinc/86/88/06/401868806.db2.gz ZDHRNWFLBGNUCG-ZIAGYGMSSA-N 1 1 306.431 2.452 50 30 DEEAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000098211981 402139357 /nfs/dbraw/zinc/13/93/57/402139357.db2.gz ODUSMFCOBUCDBZ-MRXNPFEDSA-N 1 1 324.384 2.167 50 30 DEEAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000098211981 402139358 /nfs/dbraw/zinc/13/93/58/402139358.db2.gz ODUSMFCOBUCDBZ-MRXNPFEDSA-N 1 1 324.384 2.167 50 30 DEEAMO C=CC[N@H+](C)C[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067804819 402173086 /nfs/dbraw/zinc/17/30/86/402173086.db2.gz MYXHHITUPHVKQX-SFHVURJKSA-N 1 1 308.466 2.428 50 30 DEEAMO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(C#N)cc2F)CC1 ZINC000069973956 402253638 /nfs/dbraw/zinc/25/36/38/402253638.db2.gz UVTNZDBDXJMNCC-AWEZNQCLSA-N 1 1 319.424 2.222 50 30 DEEAMO C=CCn1ncc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1C ZINC000216267522 402287365 /nfs/dbraw/zinc/28/73/65/402287365.db2.gz FADWDXSZLUWOGQ-GOSISDBHSA-N 1 1 318.465 2.064 50 30 DEEAMO CCOCCCNC(=[NH2+])NC[C@H](c1ccccc1)N1CCCC1 ZINC000071847208 402287604 /nfs/dbraw/zinc/28/76/04/402287604.db2.gz OUYYYNMSKDHYGF-QGZVFWFLSA-N 1 1 318.465 2.154 50 30 DEEAMO CCOC(=O)c1cnn(Cc2[nH+]cc(C)c(OC)c2C)c1C#N ZINC000253425474 402666022 /nfs/dbraw/zinc/66/60/22/402666022.db2.gz CTRMAAZSUCBABW-UHFFFAOYSA-N 1 1 314.345 2.000 50 30 DEEAMO C[C@@H]1CN(c2ccccc2C#N)C(=O)C[N@@H+]1CCCn1cccc1 ZINC000426495547 405363700 /nfs/dbraw/zinc/36/37/00/405363700.db2.gz ATGBYBCMTOEQNP-MRXNPFEDSA-N 1 1 322.412 2.487 50 30 DEEAMO C[C@@H]1CN(c2ccccc2C#N)C(=O)C[N@H+]1CCCn1cccc1 ZINC000426495547 405363702 /nfs/dbraw/zinc/36/37/02/405363702.db2.gz ATGBYBCMTOEQNP-MRXNPFEDSA-N 1 1 322.412 2.487 50 30 DEEAMO CC(C)n1cc(C#N)c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1 ZINC000108370115 424851356 /nfs/dbraw/zinc/85/13/56/424851356.db2.gz TYFWFOQHCYAQQP-JSGCOSHPSA-N 1 1 316.409 2.036 50 30 DEEAMO CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(F)c1 ZINC000011434860 520345414 /nfs/dbraw/zinc/34/54/14/520345414.db2.gz KHLPAKPRXJBJCF-KRWDZBQOSA-N 1 1 303.381 2.456 50 30 DEEAMO CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cccc(F)c1 ZINC000011434860 520345420 /nfs/dbraw/zinc/34/54/20/520345420.db2.gz KHLPAKPRXJBJCF-KRWDZBQOSA-N 1 1 303.381 2.456 50 30 DEEAMO N#Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000072270076 354899664 /nfs/dbraw/zinc/89/96/64/354899664.db2.gz DXDZQHPAIIVJRR-MRXNPFEDSA-N 1 1 312.417 2.374 50 30 DEEAMO CCN(C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000089969438 284162304 /nfs/dbraw/zinc/16/23/04/284162304.db2.gz GNWSMVKUPXSQKE-OAHLLOKOSA-N 1 1 300.406 2.388 50 30 DEEAMO COC(=O)CC[N@H+](CC(=O)Nc1sccc1C#N)CC(C)C ZINC000058299349 184102623 /nfs/dbraw/zinc/10/26/23/184102623.db2.gz CIGFPEJLFPPVDS-UHFFFAOYSA-N 1 1 323.418 2.079 50 30 DEEAMO N#Cc1cccnc1NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000029585398 134674508 /nfs/dbraw/zinc/67/45/08/134674508.db2.gz CSVXXPGLJHDWSE-UHFFFAOYSA-N 1 1 307.401 2.187 50 30 DEEAMO Cc1cccc(OCC(=O)ONC(=[NH2+])Cc2cccs2)c1 ZINC000005092665 401728857 /nfs/dbraw/zinc/72/88/57/401728857.db2.gz JKDABKLJSCYEBB-UHFFFAOYSA-N 1 1 304.371 2.493 50 30 DEEAMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccccc2C#N)CC1 ZINC000071892880 401693461 /nfs/dbraw/zinc/69/34/61/401693461.db2.gz XJALDBVZPATUHO-LJQANCHMSA-N 1 1 312.461 2.160 50 30 DEEAMO CN(C)c1cccc(C[N@H+](C)CC(=O)NC2(C#N)CCCC2)c1 ZINC000096483834 402093940 /nfs/dbraw/zinc/09/39/40/402093940.db2.gz SKABGIUCZSIIBN-UHFFFAOYSA-N 1 1 314.433 2.137 50 30 DEEAMO CN(C)c1cccc(C[N@@H+](C)CC(=O)NC2(C#N)CCCC2)c1 ZINC000096483834 402093944 /nfs/dbraw/zinc/09/39/44/402093944.db2.gz SKABGIUCZSIIBN-UHFFFAOYSA-N 1 1 314.433 2.137 50 30 DEEAMO C[C@@H]1C[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000071803228 402279614 /nfs/dbraw/zinc/27/96/14/402279614.db2.gz RALBTDQQFCNNTO-RHSMWYFYSA-N 1 1 312.417 2.184 50 30 DEEAMO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](CNc3ncccc3C#N)C2)o1 ZINC000222203089 402306249 /nfs/dbraw/zinc/30/62/49/402306249.db2.gz CAZWXFVPRZAOHT-YPMHNXCESA-N 1 1 312.377 2.140 50 30 DEEAMO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](CNc3ncccc3C#N)C2)o1 ZINC000222203089 402306251 /nfs/dbraw/zinc/30/62/51/402306251.db2.gz CAZWXFVPRZAOHT-YPMHNXCESA-N 1 1 312.377 2.140 50 30 DEEAMO N#Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000240333526 402442271 /nfs/dbraw/zinc/44/22/71/402442271.db2.gz FDZDEBVZXOQGNO-SFHVURJKSA-N 1 1 305.381 2.449 50 30 DEEAMO N#Cc1ccc(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000240333526 402442272 /nfs/dbraw/zinc/44/22/72/402442272.db2.gz FDZDEBVZXOQGNO-SFHVURJKSA-N 1 1 305.381 2.449 50 30 DEEAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC000299781189 403573319 /nfs/dbraw/zinc/57/33/19/403573319.db2.gz CKJJLEDKNYDDCA-OAHLLOKOSA-N 1 1 300.406 2.034 50 30 DEEAMO CNC(=O)Cn1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000330290473 404616770 /nfs/dbraw/zinc/61/67/70/404616770.db2.gz FWSYBUXRDOJWSU-CYBMUJFWSA-N 1 1 307.398 2.322 50 30 DEEAMO COc1ccc([C@@H]2[C@@H](CNc3nccnc3C#N)CC[N@H+]2C)cc1 ZINC000108081281 424850903 /nfs/dbraw/zinc/85/09/03/424850903.db2.gz JONICFQYFHJMFP-RHSMWYFYSA-N 1 1 323.400 2.462 50 30 DEEAMO N#Cc1ccc(C[N@@H+]2C[C@@H](CO)[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000257193687 424889019 /nfs/dbraw/zinc/88/90/19/424889019.db2.gz RYBJNRJPYSIORK-JKSUJKDBSA-N 1 1 324.384 2.027 50 30 DEEAMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000069663675 277046976 /nfs/dbraw/zinc/04/69/76/277046976.db2.gz KSKVCGGOCQBLNZ-INIZCTEOSA-N 1 1 316.424 2.304 50 30 DEEAMO Cc1nc(C(C)(C)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2)sc1C ZINC000072866073 526663922 /nfs/dbraw/zinc/66/39/22/526663922.db2.gz VELBGOORLKCNBC-MRXNPFEDSA-N 1 1 320.462 2.393 50 30 DEEAMO C#CCCC1(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)N=N1 ZINC000952881648 792795645 /nfs/dbraw/zinc/79/56/45/792795645.db2.gz PHMQHRYPSLRRCF-INIZCTEOSA-N 1 1 302.422 2.286 50 30 DEEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@]12Nc3ccccc3[C@]1(O)CCO2 ZINC000252427633 1082528780 /nfs/dbraw/zinc/52/87/80/1082528780.db2.gz ALNKTVLUDWIWIH-CTMNZFAUSA-N 1 1 312.413 2.313 50 30 DEEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@]12Nc3ccccc3[C@@]1(O)CCO2 ZINC000252427634 1082529124 /nfs/dbraw/zinc/52/91/24/1082529124.db2.gz ALNKTVLUDWIWIH-SOXQQHAUSA-N 1 1 312.413 2.313 50 30 DEEAMO CN(Cc1ccc(C#CC(C)(C)O)s1)C[C@@H]1CCC[N@H+]1C ZINC000670444285 540933779 /nfs/dbraw/zinc/93/37/79/540933779.db2.gz VBKKZPXBLSWYCY-AWEZNQCLSA-N 1 1 306.475 2.397 50 30 DEEAMO CN1CCC[C@H]1C[N@H+](C)Cc1ccc(C#CC(C)(C)O)s1 ZINC000670444285 540933782 /nfs/dbraw/zinc/93/37/82/540933782.db2.gz VBKKZPXBLSWYCY-AWEZNQCLSA-N 1 1 306.475 2.397 50 30 DEEAMO CN1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#CC(C)(C)O)s1 ZINC000670444285 540933784 /nfs/dbraw/zinc/93/37/84/540933784.db2.gz VBKKZPXBLSWYCY-AWEZNQCLSA-N 1 1 306.475 2.397 50 30 DEEAMO C=CC[C@@]1(CO)CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000091593370 193077160 /nfs/dbraw/zinc/07/71/60/193077160.db2.gz CGNFNSTVCHWRDQ-LJQANCHMSA-N 1 1 316.445 2.296 50 30 DEEAMO C=CC[C@@]1(CO)CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000091593370 193077162 /nfs/dbraw/zinc/07/71/62/193077162.db2.gz CGNFNSTVCHWRDQ-LJQANCHMSA-N 1 1 316.445 2.296 50 30 DEEAMO CCCNC(=O)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058355870 184107693 /nfs/dbraw/zinc/10/76/93/184107693.db2.gz PKSJGPKWLFDTMJ-UHFFFAOYSA-N 1 1 316.405 2.004 50 30 DEEAMO N#Cc1cccc(C[N@@H+]2CC=C(c3cnn(CCO)c3)CC2)c1 ZINC000065434778 184344683 /nfs/dbraw/zinc/34/46/83/184344683.db2.gz IVOZDEHVAZWSDY-UHFFFAOYSA-N 1 1 308.385 2.036 50 30 DEEAMO COc1ccc(C(=O)ONC(=[NH2+])Cc2ccccc2OC)cc1 ZINC000004171319 401725369 /nfs/dbraw/zinc/72/53/69/401725369.db2.gz WSNRTQNFBGVLQV-UHFFFAOYSA-N 1 1 314.341 2.376 50 30 biogenic DEEAMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000071892966 401693226 /nfs/dbraw/zinc/69/32/26/401693226.db2.gz NGFWYPVAGOLFEX-GUYCJALGSA-N 1 1 303.406 2.439 50 30 DEEAMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000071892966 401693229 /nfs/dbraw/zinc/69/32/29/401693229.db2.gz NGFWYPVAGOLFEX-GUYCJALGSA-N 1 1 303.406 2.439 50 30 DEEAMO C#CC[N@H+]1C[C@H](C)[C@@](O)(P(=O)(OCC)OCC)C[C@H]1C ZINC000020677065 401824730 /nfs/dbraw/zinc/82/47/30/401824730.db2.gz YQHKTBCGKFOUQO-MJBXVCDLSA-N 1 1 303.339 2.305 50 30 DEEAMO Cc1nc(CCC[N@H+](C)CCCc2[nH]nc(N)c2C#N)cs1 ZINC000089267619 401940786 /nfs/dbraw/zinc/94/07/86/401940786.db2.gz RPSRLRVMAHFDOB-UHFFFAOYSA-N 1 1 318.450 2.126 50 30 DEEAMO C#CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCc2ccccc21 ZINC000052845796 402047392 /nfs/dbraw/zinc/04/73/92/402047392.db2.gz PGLLYIKCIBVCID-UYAOXDASSA-N 1 1 321.424 2.418 50 30 DEEAMO C#CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCc2ccccc21 ZINC000052845796 402047395 /nfs/dbraw/zinc/04/73/95/402047395.db2.gz PGLLYIKCIBVCID-UYAOXDASSA-N 1 1 321.424 2.418 50 30 DEEAMO C#CCOc1cc(F)ccc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000096485261 402094515 /nfs/dbraw/zinc/09/45/15/402094515.db2.gz OJBFWLSBCZEEMF-CYBMUJFWSA-N 1 1 322.405 2.214 50 30 DEEAMO C#CCOc1cc(F)ccc1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000096485261 402094519 /nfs/dbraw/zinc/09/45/19/402094519.db2.gz OJBFWLSBCZEEMF-CYBMUJFWSA-N 1 1 322.405 2.214 50 30 DEEAMO N#Cc1ccc(N2CC[NH+](C[C@H]3CCCCO3)CC2)c(F)c1 ZINC000069590213 402233346 /nfs/dbraw/zinc/23/33/46/402233346.db2.gz LFKORCPWKGAQLM-OAHLLOKOSA-N 1 1 303.381 2.388 50 30 DEEAMO N#Cc1ccccc1OCC[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000069629843 402235683 /nfs/dbraw/zinc/23/56/83/402235683.db2.gz LAPSSBWNQIUWNI-MRXNPFEDSA-N 1 1 311.389 2.083 50 30 DEEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000215221753 402282153 /nfs/dbraw/zinc/28/21/53/402282153.db2.gz JCHQIKDQHQNTLX-KRWDZBQOSA-N 1 1 324.428 2.307 50 30 DEEAMO NC(=[NH2+])NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000242574962 402445275 /nfs/dbraw/zinc/44/52/75/402445275.db2.gz NMGWKCHTMNJLNC-UHFFFAOYSA-N 1 1 304.357 2.356 50 30 DEEAMO C[N@H+](Cc1ncccn1)[C@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000278855501 402878284 /nfs/dbraw/zinc/87/82/84/402878284.db2.gz XUWKTWAKSMYLST-HNNXBMFYSA-N 1 1 311.364 2.198 50 30 DEEAMO C[N@@H+](Cc1ncccn1)[C@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000278855501 402878286 /nfs/dbraw/zinc/87/82/86/402878286.db2.gz XUWKTWAKSMYLST-HNNXBMFYSA-N 1 1 311.364 2.198 50 30 DEEAMO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCc2ccccc2C1 ZINC000079311746 522494850 /nfs/dbraw/zinc/49/48/50/522494850.db2.gz IRIVYHWEEZUTSY-MJGOQNOKSA-N 1 1 311.429 2.284 50 30 DEEAMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCCOCC2)CC1 ZINC000328789399 534791968 /nfs/dbraw/zinc/79/19/68/534791968.db2.gz YFMGTVIZPWVWFM-ZDUSSCGKSA-N 1 1 306.410 2.162 50 30 DEEAMO C[NH+](C)Cc1cc(NC(=O)CNC(=O)OC(C)(C)C)ccn1 ZINC000328591664 635733985 /nfs/dbraw/zinc/73/39/85/635733985.db2.gz IGEPKZXQWRCGGJ-UHFFFAOYSA-N 1 1 308.382 2.460 50 30 DEEAMO CCCNC(=O)ONC(=[NH2+])c1cc(Cl)c(N)c(Cl)c1 ZINC000004390154 181106438 /nfs/dbraw/zinc/10/64/38/181106438.db2.gz WPSRKWXPLZDHQH-UHFFFAOYSA-N 1 1 305.165 2.332 50 30 DEEAMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCC(C)CC2)C1 ZINC000096473636 355699110 /nfs/dbraw/zinc/69/91/10/355699110.db2.gz QIAYZXQBELYIIY-DLBZAZTESA-N 1 1 308.466 2.284 50 30 DEEAMO COc1ccc(C(=O)ONC(=[NH2+])c2ccccc2)cc1OC ZINC000018172963 182095764 /nfs/dbraw/zinc/09/57/64/182095764.db2.gz UEJXYPSAODFFJD-UHFFFAOYSA-N 1 1 300.314 2.181 50 30 biogenic DEEAMO C[C@H]1C[NH+](CCOCCOc2ccccc2C#N)C[C@H](C)O1 ZINC000020639398 182241410 /nfs/dbraw/zinc/24/14/10/182241410.db2.gz JCQKHYUDESUQGK-GJZGRUSLSA-N 1 1 304.390 2.063 50 30 DEEAMO CC(C)(C)[N@H+]1CCCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000058226429 184090700 /nfs/dbraw/zinc/09/07/00/184090700.db2.gz IUUGNJGCTKOENY-UHFFFAOYSA-N 1 1 314.433 2.303 50 30 DEEAMO C[C@@H]1C[N@@H+](CCOCCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000016488661 401819718 /nfs/dbraw/zinc/81/97/18/401819718.db2.gz AEAPCTLHARUWHE-GASCZTMLSA-N 1 1 304.390 2.063 50 30 DEEAMO C[C@@H]1C[N@H+](CCOCCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000016488661 401819719 /nfs/dbraw/zinc/81/97/19/401819719.db2.gz AEAPCTLHARUWHE-GASCZTMLSA-N 1 1 304.390 2.063 50 30 DEEAMO CNC(=O)CCC[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000097047178 402102560 /nfs/dbraw/zinc/10/25/60/402102560.db2.gz PCJWSYQKVAWUAK-UHFFFAOYSA-N 1 1 324.222 2.279 50 30 DEEAMO CNC(=O)CCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000097047178 402102561 /nfs/dbraw/zinc/10/25/61/402102561.db2.gz PCJWSYQKVAWUAK-UHFFFAOYSA-N 1 1 324.222 2.279 50 30 DEEAMO Cn1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)cc1C#N ZINC000071775984 402277517 /nfs/dbraw/zinc/27/75/17/402277517.db2.gz GZCMGIIREALSFG-XHDPSFHLSA-N 1 1 318.384 2.104 50 30 DEEAMO Cc1ncc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C2CC2)n1 ZINC000328588748 225772319 /nfs/dbraw/zinc/77/23/19/225772319.db2.gz WCNYQFZICSHWSI-KGLIPLIRSA-N 1 1 315.421 2.376 50 30 DEEAMO C=CCOC[C@@H](O)C[N@H+](CCCOC)Cc1ccc(C)cc1 ZINC000036095000 518983938 /nfs/dbraw/zinc/98/39/38/518983938.db2.gz YLSMFILZYNGYDZ-SFHVURJKSA-N 1 1 307.434 2.397 50 30 DEEAMO N#Cc1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1 ZINC000585133131 790329252 /nfs/dbraw/zinc/32/92/52/790329252.db2.gz VSSRBVWVRQTOQE-UHFFFAOYSA-N 1 1 308.385 2.345 50 30 DEEAMO N#Cc1ccc(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)cc1 ZINC000585133131 790329264 /nfs/dbraw/zinc/32/92/64/790329264.db2.gz VSSRBVWVRQTOQE-UHFFFAOYSA-N 1 1 308.385 2.345 50 30 DEEAMO CCC#CC[N@@H+]1CCCN(C(=O)c2c(C)nn(CC)c2C)CC1 ZINC001529161238 1070892892 /nfs/dbraw/zinc/89/28/92/1070892892.db2.gz DSAIXKYURQKRST-UHFFFAOYSA-N 1 1 316.449 2.081 50 30 DEEAMO CCC#CC[N@H+]1CCCN(C(=O)c2c(C)nn(CC)c2C)CC1 ZINC001529161238 1070892908 /nfs/dbraw/zinc/89/29/08/1070892908.db2.gz DSAIXKYURQKRST-UHFFFAOYSA-N 1 1 316.449 2.081 50 30 DEEAMO CC[N@H+](CCN1CCCCC1)Cc1cc(C#CCO)cs1 ZINC000823086184 1090662690 /nfs/dbraw/zinc/66/26/90/1090662690.db2.gz QDRSWYJQRYUHIB-UHFFFAOYSA-N 1 1 306.475 2.400 50 30 DEEAMO CC[N@@H+](CCN1CCCCC1)Cc1cc(C#CCO)cs1 ZINC000823086184 1090662693 /nfs/dbraw/zinc/66/26/93/1090662693.db2.gz QDRSWYJQRYUHIB-UHFFFAOYSA-N 1 1 306.475 2.400 50 30 DEEAMO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCc2ccccc2C1 ZINC000252477128 529836829 /nfs/dbraw/zinc/83/68/29/529836829.db2.gz IRIVYHWEEZUTSY-HKUYNNGSSA-N 1 1 311.429 2.284 50 30 DEEAMO CC(C)[N@@H+](CCNC(=O)NCc1cc(C#N)ccc1F)C1CC1 ZINC000078941352 355286607 /nfs/dbraw/zinc/28/66/07/355286607.db2.gz HPMPQEWYQKARLB-UHFFFAOYSA-N 1 1 318.396 2.369 50 30 DEEAMO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(C#N)cc1Br)C(N)=O ZINC000097233197 355703208 /nfs/dbraw/zinc/70/32/08/355703208.db2.gz ASWNDUDPWDQHST-RNCFNFMXSA-N 1 1 324.222 2.310 50 30 DEEAMO Cc1c([C@H](C)[NH2+]CCc2nc[nH]n2)cnn1-c1ccc(C#N)cc1 ZINC000170593037 355986835 /nfs/dbraw/zinc/98/68/35/355986835.db2.gz TUARZSQFQNLTIJ-LBPRGKRZSA-N 1 1 321.388 2.064 50 30 DEEAMO C=C(C)C[N@H+](C)C[C@]1(O)CCCN(Cc2cccc(C)c2)C1=O ZINC000012055097 257263515 /nfs/dbraw/zinc/26/35/15/257263515.db2.gz HSMLLRRBRCNCCC-LJQANCHMSA-N 1 1 316.445 2.356 50 30 DEEAMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](C#N)CCC#N ZINC000072268761 401705171 /nfs/dbraw/zinc/70/51/71/401705171.db2.gz XWFASICDFNIDJX-HRCADAONSA-N 1 1 302.422 2.295 50 30 DEEAMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@H](C#N)CCC#N ZINC000072268761 401705174 /nfs/dbraw/zinc/70/51/74/401705174.db2.gz XWFASICDFNIDJX-HRCADAONSA-N 1 1 302.422 2.295 50 30 DEEAMO C[N@H+]1CCO[C@@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]21 ZINC000095944345 402035820 /nfs/dbraw/zinc/03/58/20/402035820.db2.gz GIXIBSFKMZFZIC-UONOGXRCSA-N 1 1 311.307 2.096 50 30 DEEAMO Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000069489104 402226381 /nfs/dbraw/zinc/22/63/81/402226381.db2.gz OFVKEXNXQGMPJT-QGZVFWFLSA-N 1 1 324.428 2.440 50 30 DEEAMO CN1CCN(C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000216374172 402288637 /nfs/dbraw/zinc/28/86/37/402288637.db2.gz YDTJYBBGXFBDFI-LJQANCHMSA-N 1 1 312.461 2.018 50 30 DEEAMO CN1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000216374172 402288640 /nfs/dbraw/zinc/28/86/40/402288640.db2.gz YDTJYBBGXFBDFI-LJQANCHMSA-N 1 1 312.461 2.018 50 30 DEEAMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221838484 402304996 /nfs/dbraw/zinc/30/49/96/402304996.db2.gz VMEJVALDIXOOLE-HZPDHXFCSA-N 1 1 324.384 2.375 50 30 DEEAMO Cc1nsc(C)c1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000328996605 404195685 /nfs/dbraw/zinc/19/56/85/404195685.db2.gz JYLRRKYYWYINPN-UHFFFAOYSA-N 1 1 319.434 2.467 50 30 DEEAMO N#Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)ccc1C(F)(F)F ZINC000375145644 404718147 /nfs/dbraw/zinc/71/81/47/404718147.db2.gz WNYVYZXZLCTAQT-ZDUSSCGKSA-N 1 1 311.307 2.098 50 30 DEEAMO N#Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)ccc1C(F)(F)F ZINC000375145644 404718152 /nfs/dbraw/zinc/71/81/52/404718152.db2.gz WNYVYZXZLCTAQT-ZDUSSCGKSA-N 1 1 311.307 2.098 50 30 DEEAMO CN(C)/C=[NH+]/c1c(C#N)c2n(c1C(=O)OC(C)(C)C)CCC2 ZINC000100025418 276749072 /nfs/dbraw/zinc/74/90/72/276749072.db2.gz CLEKRMNBSGDMEI-VCHYOVAHSA-N 1 1 302.378 2.483 50 30 DEEAMO C[N@H+]1CCO[C@@H]2CN(c3cc(C#N)ccc3C(F)(F)F)C[C@@H]21 ZINC000127200270 277124444 /nfs/dbraw/zinc/12/44/44/277124444.db2.gz XCGKGLAZVWNBLB-UONOGXRCSA-N 1 1 311.307 2.096 50 30 DEEAMO O=C1CC2(CCCCC2)CC(=O)C1=CNNc1nccc[nH+]1 ZINC000084614810 280248429 /nfs/dbraw/zinc/24/84/29/280248429.db2.gz CVRGVTGZXJLNPV-UHFFFAOYSA-N 1 1 300.362 2.160 50 30 DEEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)CC(C)C ZINC000036095181 518313588 /nfs/dbraw/zinc/31/35/88/518313588.db2.gz NVNKIZIMJJYTCU-QGZVFWFLSA-N 1 1 305.418 2.164 50 30 DEEAMO C=CC[NH+](CC=C)C[C@H](O)COc1ccc(C(C)=O)cc1OC ZINC000040459253 518771198 /nfs/dbraw/zinc/77/11/98/518771198.db2.gz KTTRPKPWYIXUJT-INIZCTEOSA-N 1 1 319.401 2.312 50 30 DEEAMO CC(C)C[N@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1 ZINC000007813825 519714816 /nfs/dbraw/zinc/71/48/16/519714816.db2.gz OIHZHRCCIMPVCS-INIZCTEOSA-N 1 1 301.390 2.170 50 30 DEEAMO CC(C)C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1 ZINC000007813825 519714819 /nfs/dbraw/zinc/71/48/19/519714819.db2.gz OIHZHRCCIMPVCS-INIZCTEOSA-N 1 1 301.390 2.170 50 30 DEEAMO C[NH+]1CCC(CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000788492152 643616143 /nfs/dbraw/zinc/61/61/43/643616143.db2.gz ASETYVHUMJVISE-LJQANCHMSA-N 1 1 312.461 2.211 50 30 DEEAMO C#CCCC1(CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)N=N1 ZINC000952879700 1084219980 /nfs/dbraw/zinc/21/99/80/1084219980.db2.gz ABJPAUZTSRKYTA-HUUCEWRRSA-N 1 1 302.422 2.285 50 30 DEEAMO C=CCN1CCC[C@H]1C(=O)NCCCC[NH+]1CCCCCC1 ZINC000820478090 1090548168 /nfs/dbraw/zinc/54/81/68/1090548168.db2.gz XHGJEGMNFRHXOP-KRWDZBQOSA-N 1 1 307.482 2.409 50 30 DEEAMO Cc1nnc([C@H](C)[N@@H+]2CC[C@H](CNc3ncccc3C#N)C2)o1 ZINC000065512263 354684304 /nfs/dbraw/zinc/68/43/04/354684304.db2.gz CAZWXFVPRZAOHT-WCQYABFASA-N 1 1 312.377 2.140 50 30 DEEAMO Cc1nnc([C@H](C)[N@H+]2CC[C@H](CNc3ncccc3C#N)C2)o1 ZINC000065512263 354684305 /nfs/dbraw/zinc/68/43/05/354684305.db2.gz CAZWXFVPRZAOHT-WCQYABFASA-N 1 1 312.377 2.140 50 30 DEEAMO C=CC[C@@]1(CO)CCC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000091547423 193071477 /nfs/dbraw/zinc/07/14/77/193071477.db2.gz HEZUVYIGCHMAQE-GOSISDBHSA-N 1 1 320.408 2.093 50 30 DEEAMO Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)nc2)[NH+](C)C)o1 ZINC000096159848 193557544 /nfs/dbraw/zinc/55/75/44/193557544.db2.gz BXOLELYALVWCPE-CQSZACIVSA-N 1 1 313.361 2.279 50 30 DEEAMO Cc1nnc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000024055804 182374609 /nfs/dbraw/zinc/37/46/09/182374609.db2.gz QIZZWEAMFWZZHJ-RYUDHWBXSA-N 1 1 317.437 2.265 50 30 DEEAMO N#Cc1ccc(NC(=O)CC[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000058325780 184105196 /nfs/dbraw/zinc/10/51/96/184105196.db2.gz OUTYBCOKOIGNJG-HNNXBMFYSA-N 1 1 313.401 2.388 50 30 DEEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccccc2)cc1OC ZINC000004170005 401725344 /nfs/dbraw/zinc/72/53/44/401725344.db2.gz XPIYUHVGEXLSEI-UHFFFAOYSA-N 1 1 300.314 2.181 50 30 biogenic DEEAMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000091629064 401997105 /nfs/dbraw/zinc/99/71/05/401997105.db2.gz UDTYEUVSORVTAX-CYBMUJFWSA-N 1 1 311.364 2.371 50 30 DEEAMO C=CC[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000050507704 402028528 /nfs/dbraw/zinc/02/85/28/402028528.db2.gz JKXNCCLRPLZQCD-UHFFFAOYSA-N 1 1 306.406 2.016 50 30 DEEAMO CC(C)NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000067956229 402180663 /nfs/dbraw/zinc/18/06/63/402180663.db2.gz ADCZGDFUKILONO-OAHLLOKOSA-N 1 1 314.433 2.478 50 30 DEEAMO CC(C)(O)C#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000215221806 402282386 /nfs/dbraw/zinc/28/23/86/402282386.db2.gz JCHQIKDQHQNTLX-QGZVFWFLSA-N 1 1 324.428 2.307 50 30 DEEAMO N#Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1 ZINC000411976633 404040522 /nfs/dbraw/zinc/04/05/22/404040522.db2.gz IUULFCWGSZDYCB-ZWKOTPCHSA-N 1 1 305.381 2.259 50 30 DEEAMO C=CCNC(=O)[C@@H](C)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000032892860 518912181 /nfs/dbraw/zinc/91/21/81/518912181.db2.gz BLVQYMHNEMTTAU-QGZVFWFLSA-N 1 1 315.461 2.193 50 30 DEEAMO N#CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000264240713 534584032 /nfs/dbraw/zinc/58/40/32/534584032.db2.gz HARTZZWHBFICBF-KRWDZBQOSA-N 1 1 312.417 2.206 50 30 DEEAMO [NH2+]=C(Cc1cccs1)NOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004725364 526814747 /nfs/dbraw/zinc/81/47/47/526814747.db2.gz FWOQTPJVTCPJJE-UHFFFAOYSA-N 1 1 305.315 2.328 50 30 DEEAMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)CN1CC[NH+](C)CC1 ZINC000102241587 625209276 /nfs/dbraw/zinc/20/92/76/625209276.db2.gz KEWQZVLFZPOBPD-AQTBWJFISA-N 1 1 313.445 2.114 50 30 DEEAMO N#Cc1cnc(NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)nc1N ZINC001506396248 1061934594 /nfs/dbraw/zinc/93/45/94/1061934594.db2.gz IODOIUQLDJLKAF-OAHLLOKOSA-N 1 1 322.416 2.222 50 30 DEEAMO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)C(N)=O ZINC000097233201 355703365 /nfs/dbraw/zinc/70/33/65/355703365.db2.gz ASWNDUDPWDQHST-TVQRCGJNSA-N 1 1 324.222 2.310 50 30 DEEAMO CC(C)=CC[N@H+]1CCN(CC#Cc2ccccc2)C[C@@H]1CCO ZINC000020536338 182228254 /nfs/dbraw/zinc/22/82/54/182228254.db2.gz AVQFTPFWZBDFOL-FQEVSTJZSA-N 1 1 312.457 2.373 50 30 DEEAMO C[N@H+]1CCc2nc(SCC(=O)OC(C)(C)C)c(C#N)cc2C1 ZINC000020814520 182248147 /nfs/dbraw/zinc/24/81/47/182248147.db2.gz AOJGIRBRVQFSSB-UHFFFAOYSA-N 1 1 319.430 2.375 50 30 DEEAMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000057379215 184036375 /nfs/dbraw/zinc/03/63/75/184036375.db2.gz XLTNJTXBQXNKQV-INIZCTEOSA-N 1 1 301.390 2.388 50 30 DEEAMO COc1cccc(C(=O)ONC(=[NH2+])c2cccc(C)c2)c1OC ZINC000005013999 401728046 /nfs/dbraw/zinc/72/80/46/401728046.db2.gz YYKDKVFUBYQZOG-UHFFFAOYSA-N 1 1 314.341 2.490 50 30 DEEAMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1c1cccnn1 ZINC000071859967 401688705 /nfs/dbraw/zinc/68/87/05/401688705.db2.gz ULKARYPHFRBQLT-QGZVFWFLSA-N 1 1 307.401 2.449 50 30 DEEAMO C#CC[NH+]1CCC(c2nc(CC(=O)Nc3ccccc3)no2)CC1 ZINC000078774410 401865390 /nfs/dbraw/zinc/86/53/90/401865390.db2.gz DHLJKMGRYBAIDX-UHFFFAOYSA-N 1 1 324.384 2.063 50 30 DEEAMO N#Cc1ccc(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000048711459 402007074 /nfs/dbraw/zinc/00/70/74/402007074.db2.gz OJWSTQMTMFEPMG-FQEVSTJZSA-N 1 1 321.424 2.067 50 30 DEEAMO N#Cc1ccc(CNC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000048711459 402007076 /nfs/dbraw/zinc/00/70/76/402007076.db2.gz OJWSTQMTMFEPMG-FQEVSTJZSA-N 1 1 321.424 2.067 50 30 DEEAMO N#Cc1cccnc1N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000108119107 402246921 /nfs/dbraw/zinc/24/69/21/402246921.db2.gz WDVGZNPCJBTETF-MSOLQXFVSA-N 1 1 322.412 2.248 50 30 DEEAMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(C#N)cc2F)CC1 ZINC000189445759 402537918 /nfs/dbraw/zinc/53/79/18/402537918.db2.gz BTULBGTYXWWIRO-AWEZNQCLSA-N 1 1 304.413 2.383 50 30 DEEAMO C=C(Br)C[NH+]1CCC2(CC1)[C@H](OCC)C[C@@H]2O ZINC000096421791 277761626 /nfs/dbraw/zinc/76/16/26/277761626.db2.gz BHVMXQLFSRAWKK-NWDGAFQWSA-N 1 1 304.228 2.147 50 30 DEEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)CC(C)C ZINC000036099658 518302759 /nfs/dbraw/zinc/30/27/59/518302759.db2.gz GULGWMWZGZBQFG-INIZCTEOSA-N 1 1 311.372 2.434 50 30 DEEAMO C=CCc1cc(C)ccc1OCCOCC[NH+]1CCN(C)CC1 ZINC000020118452 519129475 /nfs/dbraw/zinc/12/94/75/519129475.db2.gz CWSJKSXIQBCUPS-UHFFFAOYSA-N 1 1 318.461 2.366 50 30 DEEAMO C[NH+]1CCC(CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000788492115 643616702 /nfs/dbraw/zinc/61/67/02/643616702.db2.gz ASETYVHUMJVISE-IBGZPJMESA-N 1 1 312.461 2.211 50 30 DEEAMO C#CCCC1(CCC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)N=N1 ZINC000952879699 792793225 /nfs/dbraw/zinc/79/32/25/792793225.db2.gz ABJPAUZTSRKYTA-GJZGRUSLSA-N 1 1 302.422 2.285 50 30 DEEAMO C#CCCC1(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)N=N1 ZINC000952881652 792796088 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C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093148124 193208000 /nfs/dbraw/zinc/20/80/00/193208000.db2.gz SBQUPNJHBALXCS-INIZCTEOSA-N 1 1 318.490 2.222 50 30 DEEAMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c(F)c1 ZINC000109820320 194290333 /nfs/dbraw/zinc/29/03/33/194290333.db2.gz KAUPWAHZNKPHHG-KRWDZBQOSA-N 1 1 317.408 2.384 50 30 DEEAMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000075108146 401749475 /nfs/dbraw/zinc/74/94/75/401749475.db2.gz ZIPDLWIQAXBIGL-CABCVRRESA-N 1 1 320.462 2.002 50 30 DEEAMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000071892965 401693218 /nfs/dbraw/zinc/69/32/18/401693218.db2.gz NGFWYPVAGOLFEX-SUMWQHHRSA-N 1 1 303.406 2.439 50 30 DEEAMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000071892965 401693219 /nfs/dbraw/zinc/69/32/19/401693219.db2.gz NGFWYPVAGOLFEX-SUMWQHHRSA-N 1 1 303.406 2.439 50 30 DEEAMO C=C(C)C[N@@H+](CC)C[C@H](O)COCc1ccc(OC)c(OC)c1 ZINC000009377467 401762109 /nfs/dbraw/zinc/76/21/09/401762109.db2.gz 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CC[C@@H](C#N)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000069455915 402224860 /nfs/dbraw/zinc/22/48/60/402224860.db2.gz VALALNVKOMVTJM-ZBFHGGJFSA-N 1 1 303.381 2.456 50 30 DEEAMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccnc(N)c3)CC2)cc1 ZINC000170089277 402503427 /nfs/dbraw/zinc/50/34/27/402503427.db2.gz QGRJKJIOTMVIAU-UHFFFAOYSA-N 1 1 321.428 2.243 50 30 DEEAMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccnc(N)c3)CC2)cc1 ZINC000170089277 402503429 /nfs/dbraw/zinc/50/34/29/402503429.db2.gz QGRJKJIOTMVIAU-UHFFFAOYSA-N 1 1 321.428 2.243 50 30 DEEAMO N#Cc1ccc(CN2CCC[N@H+](Cc3ccnc(N)c3)CC2)cc1 ZINC000170089277 402503430 /nfs/dbraw/zinc/50/34/30/402503430.db2.gz QGRJKJIOTMVIAU-UHFFFAOYSA-N 1 1 321.428 2.243 50 30 DEEAMO N#Cc1ccccc1C[N@@H+]1C[C@@H](CO)[C@H](c2nc(C3CC3)no2)C1 ZINC000257187925 402701212 /nfs/dbraw/zinc/70/12/12/402701212.db2.gz MFYOTDINGUWMHU-JKSUJKDBSA-N 1 1 324.384 2.027 50 30 DEEAMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCC(C)CC2)C1 ZINC000195539855 402850810 /nfs/dbraw/zinc/85/08/10/402850810.db2.gz 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520350480 /nfs/dbraw/zinc/35/04/80/520350480.db2.gz KHLPAKPRXJBJCF-QGZVFWFLSA-N 1 1 303.381 2.456 50 30 DEEAMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(F)c1 ZINC000011434865 520350491 /nfs/dbraw/zinc/35/04/91/520350491.db2.gz KHLPAKPRXJBJCF-QGZVFWFLSA-N 1 1 303.381 2.456 50 30 DEEAMO COc1ccc(C(=[NH2+])NOC(=O)Cc2cccs2)cc1OC ZINC000004845463 523366696 /nfs/dbraw/zinc/36/66/96/523366696.db2.gz DNVBWFHRGOOIJO-UHFFFAOYSA-N 1 1 320.370 2.172 50 30 DEEAMO Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000246196315 524461663 /nfs/dbraw/zinc/46/16/63/524461663.db2.gz LORGSERZTMYJOR-GFCCVEGCSA-N 1 1 313.430 2.429 50 30 DEEAMO Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)s1 ZINC000246196315 524461671 /nfs/dbraw/zinc/46/16/71/524461671.db2.gz LORGSERZTMYJOR-GFCCVEGCSA-N 1 1 313.430 2.429 50 30 DEEAMO C=CCOc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000422017857 526835563 /nfs/dbraw/zinc/83/55/63/526835563.db2.gz IHHOXKRNBVYJIQ-HNNXBMFYSA-N 1 1 318.417 2.426 50 30 DEEAMO N#Cc1cnc(N[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc1N ZINC001506399680 1061939994 /nfs/dbraw/zinc/93/99/94/1061939994.db2.gz CENNKIBMOASLCB-LBPRGKRZSA-N 1 1 314.418 2.068 50 30 DEEAMO CC(C)(O)C#Cc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000820608325 1090556194 /nfs/dbraw/zinc/55/61/94/1090556194.db2.gz SIQVNVRMSZGRQW-UHFFFAOYSA-N 1 1 324.428 2.307 50 30 DEEAMO N#Cc1c[nH]c(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000426425529 283083916 /nfs/dbraw/zinc/08/39/16/283083916.db2.gz ZBOHFAHUTCOFPA-MRXNPFEDSA-N 1 1 308.385 2.106 50 30 DEEAMO N#Cc1ccc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)cn1 ZINC000195539275 356256286 /nfs/dbraw/zinc/25/62/86/356256286.db2.gz RJZSRDZBPSAUAN-RTBURBONSA-N 1 1 320.396 2.043 50 30 DEEAMO N#Cc1ccc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)cn1 ZINC000195539275 356256289 /nfs/dbraw/zinc/25/62/89/356256289.db2.gz RJZSRDZBPSAUAN-RTBURBONSA-N 1 1 320.396 2.043 50 30 DEEAMO Cc1cc(C#N)c(NCCC[N@H+]2CCCC[C@H]2CO)nc1C ZINC000670454402 540935577 /nfs/dbraw/zinc/93/55/77/540935577.db2.gz SZOGHGRKDYQQFN-INIZCTEOSA-N 1 1 302.422 2.219 50 30 DEEAMO COc1cccc(NC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000018251165 182101015 /nfs/dbraw/zinc/10/10/15/182101015.db2.gz XTQHYLLXXCTEKV-UHFFFAOYSA-N 1 1 309.435 2.115 50 30 DEEAMO COC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CC(C)(C)O1 ZINC000284464292 218036884 /nfs/dbraw/zinc/03/68/84/218036884.db2.gz FHTAQSRKTITKIU-HNNXBMFYSA-N 1 1 304.390 2.193 50 30 DEEAMO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CC(C)(C)O1 ZINC000284464292 218036888 /nfs/dbraw/zinc/03/68/88/218036888.db2.gz FHTAQSRKTITKIU-HNNXBMFYSA-N 1 1 304.390 2.193 50 30 DEEAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000065586398 184368991 /nfs/dbraw/zinc/36/89/91/184368991.db2.gz UZHPWNNIZROYDX-CABCVRRESA-N 1 1 315.417 2.172 50 30 DEEAMO C[NH+](C)CC#CCNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000075164279 401753391 /nfs/dbraw/zinc/75/33/91/401753391.db2.gz ZATZXAXCFRKCRD-UHFFFAOYSA-N 1 1 320.392 2.212 50 30 DEEAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cc(C#N)ccc1F ZINC000076086845 401781939 /nfs/dbraw/zinc/78/19/39/401781939.db2.gz SFIHMRMUIGUAEM-OAHLLOKOSA-N 1 1 318.396 2.371 50 30 DEEAMO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1 ZINC000015142198 401816363 /nfs/dbraw/zinc/81/63/63/401816363.db2.gz HXLWXGZCJPJJCQ-UHFFFAOYSA-N 1 1 308.385 2.284 50 30 DEEAMO C[C@H]1CN(c2ccc(C#N)cn2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069738851 402241916 /nfs/dbraw/zinc/24/19/16/402241916.db2.gz HFWSWSYULWDHEM-YJBOKZPZSA-N 1 1 322.412 2.197 50 30 DEEAMO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(F)cc2C#N)CC1 ZINC000069974051 402253686 /nfs/dbraw/zinc/25/36/86/402253686.db2.gz KGFIEXWOJOBOLL-AWEZNQCLSA-N 1 1 319.424 2.222 50 30 DEEAMO N#Cc1c(C[NH+]2CCC(C(=O)NC3CC3)CC2)cn2ccccc12 ZINC000071818431 402281749 /nfs/dbraw/zinc/28/17/49/402281749.db2.gz BGSYUAWKNUJELK-UHFFFAOYSA-N 1 1 322.412 2.302 50 30 DEEAMO COCC[N@H+](C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000054354627 274022710 /nfs/dbraw/zinc/02/27/10/274022710.db2.gz DHJXIUUKJGRVPS-ATVHPVEESA-N 1 1 302.418 2.445 50 30 DEEAMO COCC[N@@H+](C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000054354627 274022711 /nfs/dbraw/zinc/02/27/11/274022711.db2.gz DHJXIUUKJGRVPS-ATVHPVEESA-N 1 1 302.418 2.445 50 30 DEEAMO COc1ccc(C(=O)ONC(=[NH2+])c2ccccc2)c(OC)c1 ZINC000018172961 523770067 /nfs/dbraw/zinc/77/00/67/523770067.db2.gz QPFMMJLXNBJTPA-UHFFFAOYSA-N 1 1 300.314 2.181 50 30 biogenic DEEAMO Cc1ccc([C@H](C)[N@@H+](C)CCC(=O)N(CC#N)CC#N)s1 ZINC000058342388 525884911 /nfs/dbraw/zinc/88/49/11/525884911.db2.gz ITPBKALBIQBATD-ZDUSSCGKSA-N 1 1 304.419 2.315 50 30 DEEAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2cc(C#CCO)cs2)C1 ZINC000828644539 783837218 /nfs/dbraw/zinc/83/72/18/783837218.db2.gz AVBVBZGXFSTUJY-AWEZNQCLSA-N 1 1 304.459 2.151 50 30 DEEAMO N#Cc1ccc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)cn1 ZINC000097227887 355703388 /nfs/dbraw/zinc/70/33/88/355703388.db2.gz RJZSRDZBPSAUAN-OALUTQOASA-N 1 1 320.396 2.043 50 30 DEEAMO N#Cc1ccc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)cn1 ZINC000097227887 355703392 /nfs/dbraw/zinc/70/33/92/355703392.db2.gz RJZSRDZBPSAUAN-OALUTQOASA-N 1 1 320.396 2.043 50 30 DEEAMO C=CC[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2ccc(CC)cn2)C1 ZINC000584886361 357324889 /nfs/dbraw/zinc/32/48/89/357324889.db2.gz IRQGJJDSIJUZTE-INIZCTEOSA-N 1 1 316.449 2.293 50 30 DEEAMO C=C(C)CNC(=S)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000040071329 183031597 /nfs/dbraw/zinc/03/15/97/183031597.db2.gz UVSZYKJJPIIRGE-AWEZNQCLSA-N 1 1 303.475 2.473 50 30 DEEAMO C=C(C)C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000065515766 184358098 /nfs/dbraw/zinc/35/80/98/184358098.db2.gz ZBTJIHGROCYQLP-UHFFFAOYSA-N 1 1 304.419 2.492 50 30 DEEAMO N#Cc1ccc(NCc2ccccc2C[NH+]2CCOCC2)nc1 ZINC000028757518 401853331 /nfs/dbraw/zinc/85/33/31/401853331.db2.gz JTZFTJQVLVRBAH-UHFFFAOYSA-N 1 1 308.385 2.398 50 30 DEEAMO COc1ccc(-c2c(C#N)c(N)nc3c2C[N@@H+](C)CC3)c(OC)c1 ZINC000018222904 286263211 /nfs/dbraw/zinc/26/32/11/286263211.db2.gz DAKNALKVCQVSRI-UHFFFAOYSA-N 1 1 324.384 2.208 50 30 DEEAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000299790862 403575841 /nfs/dbraw/zinc/57/58/41/403575841.db2.gz BPIMHTARZABWLH-MRXNPFEDSA-N 1 1 322.412 2.414 50 30 DEEAMO C=CCOC[C@@H](O)C[N@H+](Cc1cc(OC)cc(OC)c1)C(C)C ZINC000036095080 518988142 /nfs/dbraw/zinc/98/81/42/518988142.db2.gz CBTUVHKZYDMQBS-INIZCTEOSA-N 1 1 323.433 2.478 50 30 DEEAMO COc1ccc(C(=O)ONC(=[NH2+])c2cccc(C)c2)cc1OC ZINC000008576354 523769684 /nfs/dbraw/zinc/76/96/84/523769684.db2.gz BNELVQHKBPUXEC-UHFFFAOYSA-N 1 1 314.341 2.490 50 30 DEEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@]12Nc3ccccc3[C@@]1(O)CCO2 ZINC000252427632 640615066 /nfs/dbraw/zinc/61/50/66/640615066.db2.gz ALNKTVLUDWIWIH-AJVNXVRISA-N 1 1 312.413 2.313 50 30 DEEAMO C=CCNC(=O)C[N@H+](CCCO)Cc1cccc2ccccc21 ZINC001506408716 1061950343 /nfs/dbraw/zinc/95/03/43/1061950343.db2.gz ORCIINPCUBYNAB-UHFFFAOYSA-N 1 1 312.413 2.326 50 30 DEEAMO N#Cc1ccc(N2CC[NH+](CCC(=O)c3ccccc3)CC2)nc1 ZINC000182073709 199383606 /nfs/dbraw/zinc/38/36/06/199383606.db2.gz ZWPDHSOBLXPWPT-UHFFFAOYSA-N 1 1 320.396 2.348 50 30 DEEAMO Cc1ccc(N2CCC[C@@H]([N@H+](C)C[C@@H](C#N)CCC#N)C2)nn1 ZINC000106908468 355726957 /nfs/dbraw/zinc/72/69/57/355726957.db2.gz IPGFARAGHVNUCF-HZPDHXFCSA-N 1 1 312.421 2.129 50 30 DEEAMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)C[C@@H](C#N)CCC#N)C2)nn1 ZINC000106908468 355726960 /nfs/dbraw/zinc/72/69/60/355726960.db2.gz IPGFARAGHVNUCF-HZPDHXFCSA-N 1 1 312.421 2.129 50 30 DEEAMO C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c12 ZINC000067770361 283261845 /nfs/dbraw/zinc/26/18/45/283261845.db2.gz YKLVVDBZXCHBMD-GXFFZTMASA-N 1 1 322.368 2.305 50 30 DEEAMO CC[N@@H+](C)C1(CNC(=O)c2ccc(C#N)nc2)CCCCC1 ZINC000670456729 540936097 /nfs/dbraw/zinc/93/60/97/540936097.db2.gz VAXZMTZHNKSPFY-UHFFFAOYSA-N 1 1 300.406 2.338 50 30 DEEAMO CC(=O)C(=C(C)O)[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 ZINC000017206342 182079821 /nfs/dbraw/zinc/07/98/21/182079821.db2.gz UDYLCMGYJJWLLL-UHFFFAOYSA-N 1 1 301.341 2.247 50 30 DEEAMO COC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)CC(C)(C)O1 ZINC000284464294 218038214 /nfs/dbraw/zinc/03/82/14/218038214.db2.gz FHTAQSRKTITKIU-OAHLLOKOSA-N 1 1 304.390 2.193 50 30 DEEAMO COC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CC(C)(C)O1 ZINC000284464294 218038217 /nfs/dbraw/zinc/03/82/17/218038217.db2.gz FHTAQSRKTITKIU-OAHLLOKOSA-N 1 1 304.390 2.193 50 30 DEEAMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000105792120 194129403 /nfs/dbraw/zinc/12/94/03/194129403.db2.gz SBHNHCFBJSGGHZ-UHFFFAOYSA-N 1 1 309.417 2.231 50 30 DEEAMO C[N@@H+](CCCOc1ccc(C#N)cc1)C1CCS(=O)CC1 ZINC000079462936 401873316 /nfs/dbraw/zinc/87/33/16/401873316.db2.gz HWRMKWJACRLDIS-UHFFFAOYSA-N 1 1 306.431 2.170 50 30 DEEAMO N#Cc1cccnc1N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000095971000 402038944 /nfs/dbraw/zinc/03/89/44/402038944.db2.gz WDVGZNPCJBTETF-ZWKOTPCHSA-N 1 1 322.412 2.248 50 30 DEEAMO CSCC[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000097048467 402102710 /nfs/dbraw/zinc/10/27/10/402102710.db2.gz OAJAEQVBYHGZSM-HNNXBMFYSA-N 1 1 303.431 2.348 50 30 DEEAMO CCN1CC[NH+]([C@H]2CCN(c3cc(Cl)ccc3C#N)C2)CC1 ZINC000122978854 402104591 /nfs/dbraw/zinc/10/45/91/402104591.db2.gz PUANUTLHADKFFK-INIZCTEOSA-N 1 1 318.852 2.428 50 30 DEEAMO C=CCOC[C@@H](O)C[N@H+](CCCOC)Cc1cccc(OC)c1 ZINC000036100205 518983134 /nfs/dbraw/zinc/98/31/34/518983134.db2.gz QEDJBKIBIIPYLQ-KRWDZBQOSA-N 1 1 323.433 2.097 50 30 DEEAMO COc1ccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000032831882 524002090 /nfs/dbraw/zinc/00/20/90/524002090.db2.gz SOIVXAFRVOIYDH-KRWDZBQOSA-N 1 1 303.406 2.181 50 30 DEEAMO COc1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000032831882 524002092 /nfs/dbraw/zinc/00/20/92/524002092.db2.gz SOIVXAFRVOIYDH-KRWDZBQOSA-N 1 1 303.406 2.181 50 30 DEEAMO C=CCOc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1OC ZINC000422017859 526835334 /nfs/dbraw/zinc/83/53/34/526835334.db2.gz IHHOXKRNBVYJIQ-OAHLLOKOSA-N 1 1 318.417 2.426 50 30 DEEAMO C#CCCC1(CCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)N=N1 ZINC000952881146 792796280 /nfs/dbraw/zinc/79/62/80/792796280.db2.gz LAJWLGLGLACNLF-CABCVRRESA-N 1 1 302.422 2.475 50 30 DEEAMO Cc1cc(C#N)c(NCCC[N@H+]2CCC[C@H](CO)C2)nc1C ZINC000670455251 540936265 /nfs/dbraw/zinc/93/62/65/540936265.db2.gz RLIZPSLYIQQAGB-HNNXBMFYSA-N 1 1 302.422 2.076 50 30 DEEAMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000106112071 194188501 /nfs/dbraw/zinc/18/85/01/194188501.db2.gz BMWSQQNNVNNUDT-CRAIPNDOSA-N 1 1 311.385 2.463 50 30 DEEAMO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000028894084 401854002 /nfs/dbraw/zinc/85/40/02/401854002.db2.gz CSNFYKKLSFCQDD-NSHDSACASA-N 1 1 319.430 2.158 50 30 DEEAMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000028894084 401854003 /nfs/dbraw/zinc/85/40/03/401854003.db2.gz CSNFYKKLSFCQDD-NSHDSACASA-N 1 1 319.430 2.158 50 30 DEEAMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCOc1ccccc1 ZINC000030426897 401863531 /nfs/dbraw/zinc/86/35/31/401863531.db2.gz ZKUBGQQZRZNPFW-SFHVURJKSA-N 1 1 317.433 2.442 50 30 DEEAMO C[N@@H+](CCCOc1ccccc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000048057389 401993276 /nfs/dbraw/zinc/99/32/76/401993276.db2.gz BGLSADPGLMUPCO-GOSISDBHSA-N 1 1 315.417 2.196 50 30 DEEAMO C[C@](C#N)(NC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)C1CC1 ZINC000089368573 401943493 /nfs/dbraw/zinc/94/34/93/401943493.db2.gz ONLLNZBSUUKRFP-FUHWJXTLSA-N 1 1 319.449 2.218 50 30 DEEAMO N#Cc1cccc(OCC[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000051506644 402034786 /nfs/dbraw/zinc/03/47/86/402034786.db2.gz NMFIEJFFLFUYLG-UHFFFAOYSA-N 1 1 322.412 2.150 50 30 DEEAMO C[C@H]1CCN(c2nccnc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000096429856 402085345 /nfs/dbraw/zinc/08/53/45/402085345.db2.gz JEFUWMBAPDRELD-HNNXBMFYSA-N 1 1 307.401 2.449 50 30 DEEAMO C#CCOc1cc(F)ccc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000096485263 402094826 /nfs/dbraw/zinc/09/48/26/402094826.db2.gz OJBFWLSBCZEEMF-ZDUSSCGKSA-N 1 1 322.405 2.214 50 30 DEEAMO C#CCOc1cc(F)ccc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000096485263 402094829 /nfs/dbraw/zinc/09/48/29/402094829.db2.gz OJBFWLSBCZEEMF-ZDUSSCGKSA-N 1 1 322.405 2.214 50 30 DEEAMO C[C@@H]1CN(c2ncccc2C#N)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229336514 402341869 /nfs/dbraw/zinc/34/18/69/402341869.db2.gz WEMQJGAIDRVGOJ-CRAIPNDOSA-N 1 1 322.412 2.197 50 30 DEEAMO CCc1nn(CC[C@@H]2CCCC[N@H+]2C)c(=O)c(C#N)c1CC ZINC000253416124 402664599 /nfs/dbraw/zinc/66/45/99/402664599.db2.gz SICQHHTVWMQEPZ-ZDUSSCGKSA-N 1 1 302.422 2.114 50 30 DEEAMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000239654199 225214358 /nfs/dbraw/zinc/21/43/58/225214358.db2.gz BMWSQQNNVNNUDT-QAPCUYQASA-N 1 1 311.385 2.463 50 30 DEEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccsc1)Cc1ccco1 ZINC000036099346 518313857 /nfs/dbraw/zinc/31/38/57/518313857.db2.gz LPXKMPGAGXEJKJ-OAHLLOKOSA-N 1 1 305.399 2.354 50 30 DEEAMO C#CCOC[C@H](O)C[N@H+](Cc1ccsc1)Cc1ccco1 ZINC000036099346 518313861 /nfs/dbraw/zinc/31/38/61/518313861.db2.gz LPXKMPGAGXEJKJ-OAHLLOKOSA-N 1 1 305.399 2.354 50 30 DEEAMO C=CCc1ccc(OCCCC[NH+]2CCNCC2)c(OC)c1 ZINC000020272713 519135634 /nfs/dbraw/zinc/13/56/34/519135634.db2.gz NFKGJYJQJLBZBO-UHFFFAOYSA-N 1 1 304.434 2.488 50 30 DEEAMO C=CC[N@H+]1CC[C@H](CNC(=O)CCn2cnc3ccccc32)C1 ZINC000952961075 792805213 /nfs/dbraw/zinc/80/52/13/792805213.db2.gz HAQXWVMICRIZOR-OAHLLOKOSA-N 1 1 312.417 2.051 50 30 DEEAMO N#Cc1cccc(OCCC[N@@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000095418510 185359628 /nfs/dbraw/zinc/35/96/28/185359628.db2.gz HIJRESUWPTWJMP-HNNXBMFYSA-N 1 1 301.390 2.057 50 30 DEEAMO N#Cc1cc(F)ccc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000084344011 283098896 /nfs/dbraw/zinc/09/88/96/283098896.db2.gz DAGOKOJCCKFVJU-UHFFFAOYSA-N 1 1 303.381 2.388 50 30 DEEAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000229559558 356282127 /nfs/dbraw/zinc/28/21/27/356282127.db2.gz XWFASICDFNIDJX-BZUAXINKSA-N 1 1 302.422 2.295 50 30 DEEAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000229559558 356282128 /nfs/dbraw/zinc/28/21/28/356282128.db2.gz XWFASICDFNIDJX-BZUAXINKSA-N 1 1 302.422 2.295 50 30 DEEAMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)ccc1S(C)(=O)=O ZINC000585135120 357336184 /nfs/dbraw/zinc/33/61/84/357336184.db2.gz YIRAFHGLTHYJAJ-LBPRGKRZSA-N 1 1 322.430 2.443 50 30 DEEAMO N#Cc1ccc(CC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000600103022 359648145 /nfs/dbraw/zinc/64/81/45/359648145.db2.gz RQYSLPGSPHQFFD-MRXNPFEDSA-N 1 1 312.417 2.019 50 30 DEEAMO Cc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000091936596 193128716 /nfs/dbraw/zinc/12/87/16/193128716.db2.gz LORGSERZTMYJOR-LBPRGKRZSA-N 1 1 313.430 2.429 50 30 DEEAMO Cc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)s1 ZINC000091936596 193128718 /nfs/dbraw/zinc/12/87/18/193128718.db2.gz LORGSERZTMYJOR-LBPRGKRZSA-N 1 1 313.430 2.429 50 30 DEEAMO N#Cc1ccccc1CN1CC[N@@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000108267409 194256306 /nfs/dbraw/zinc/25/63/06/194256306.db2.gz SDCLPMOOSTWVML-FQEVSTJZSA-N 1 1 321.424 2.237 50 30 DEEAMO Cc1nc(N2CC[NH+](C)CC2)c(C#N)c(C)c1Br ZINC000001390580 401706410 /nfs/dbraw/zinc/70/64/10/401706410.db2.gz MLNRAFKJLBBHBP-UHFFFAOYSA-N 1 1 309.211 2.084 50 30 DEEAMO Cc1cc(C(=O)ONC(=[NH2+])c2ccc(C(F)(F)F)cc2)no1 ZINC000008536191 401753968 /nfs/dbraw/zinc/75/39/68/401753968.db2.gz GSEFZXMZTVCCHD-UHFFFAOYSA-N 1 1 313.235 2.479 50 30 DEEAMO N#Cc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC000028757713 401853049 /nfs/dbraw/zinc/85/30/49/401853049.db2.gz OQZHULNPFXJGJB-UHFFFAOYSA-N 1 1 308.385 2.398 50 30 DEEAMO C[N@H+]1CC[C@H]2CN(C(=O)CC3=C(c4ccccc4)CCC3=O)C[C@H]21 ZINC000077423510 401815237 /nfs/dbraw/zinc/81/52/37/401815237.db2.gz JLXIMKZOMNVWSL-MAUKXSAKSA-N 1 1 324.424 2.356 50 30 DEEAMO Cc1nc(C(=O)NCC#CC[N@H+](C)Cc2ccccc2)cs1 ZINC000085470606 401916834 /nfs/dbraw/zinc/91/68/34/401916834.db2.gz BNRHVTUTDDVBTJ-UHFFFAOYSA-N 1 1 313.426 2.317 50 30 DEEAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)COc1ccc(C#N)cc1 ZINC000069557604 402230268 /nfs/dbraw/zinc/23/02/68/402230268.db2.gz XXHGBSJRMBWCHF-IRXDYDNUSA-N 1 1 313.401 2.022 50 30 DEEAMO C=CCn1ncc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1C ZINC000216267566 402287548 /nfs/dbraw/zinc/28/75/48/402287548.db2.gz 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C=CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095541 518994025 /nfs/dbraw/zinc/99/40/25/518994025.db2.gz GDSNVLBXOJGIFI-MSOLQXFVSA-N 1 1 323.408 2.370 50 30 DEEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CCCO1 ZINC000036096322 518995365 /nfs/dbraw/zinc/99/53/65/518995365.db2.gz DFTFQIMCPQICJV-SJORKVTESA-N 1 1 323.408 2.370 50 30 DEEAMO Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N)c2cc1C ZINC000065462353 525683572 /nfs/dbraw/zinc/68/35/72/525683572.db2.gz KITHJYFRUZBWCM-WFASDCNBSA-N 1 1 300.406 2.106 50 30 DEEAMO Cc1cc2ncn(C[C@@H](O)C[N@H+](C)C[C@@H](C)C#N)c2cc1C ZINC000065462353 525683582 /nfs/dbraw/zinc/68/35/82/525683582.db2.gz KITHJYFRUZBWCM-WFASDCNBSA-N 1 1 300.406 2.106 50 30 DEEAMO CCC[C@@H]1CN(c2ccc(C)c(C#N)n2)CC[N@H+]1CCOC ZINC000302593501 527789508 /nfs/dbraw/zinc/78/95/08/527789508.db2.gz APSWJWLWKBFDRD-OAHLLOKOSA-N 1 1 302.422 2.199 50 30 DEEAMO C[N@@H+](CCCC#N)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000071870762 354897669 /nfs/dbraw/zinc/89/76/69/354897669.db2.gz 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402076999 /nfs/dbraw/zinc/07/69/99/402076999.db2.gz RHWDMISBZAAOIB-UHFFFAOYSA-N 1 1 320.481 2.310 50 30 DEEAMO C=CCn1cc(CN(CCCOC)C2CC[NH+](C)CC2)c(C)n1 ZINC000055199370 402077001 /nfs/dbraw/zinc/07/70/01/402077001.db2.gz RHWDMISBZAAOIB-UHFFFAOYSA-N 1 1 320.481 2.310 50 30 DEEAMO C=C(C)C[NH+]1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000054284421 402065084 /nfs/dbraw/zinc/06/50/84/402065084.db2.gz INAWATPIVDULLK-UHFFFAOYSA-N 1 1 312.369 2.127 50 30 DEEAMO CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000107045997 402225008 /nfs/dbraw/zinc/22/50/08/402225008.db2.gz BZRJXZWIBDHANP-CJNGLKHVSA-N 1 1 300.406 2.403 50 30 DEEAMO N#Cc1c(C[N@@H+]2CCCC[C@@H]2Cn2cncn2)cn2ccccc12 ZINC000069702754 402240077 /nfs/dbraw/zinc/24/00/77/402240077.db2.gz MKAKFXKDGOCABL-MRXNPFEDSA-N 1 1 320.400 2.457 50 30 DEEAMO N#Cc1c(C[N@H+]2CCCC[C@@H]2Cn2cncn2)cn2ccccc12 ZINC000069702754 402240080 /nfs/dbraw/zinc/24/00/80/402240080.db2.gz MKAKFXKDGOCABL-MRXNPFEDSA-N 1 1 320.400 2.457 50 30 DEEAMO CCOC1CC(CNc2ccc(C#N)cc2)([NH+]2CCOCC2)C1 ZINC000253430989 402666597 /nfs/dbraw/zinc/66/65/97/402666597.db2.gz YYDBAOCIVLSXCO-UHFFFAOYSA-N 1 1 315.417 2.240 50 30 DEEAMO CC(C)[N@H+]1CC[C@H](CN2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000299794518 403577288 /nfs/dbraw/zinc/57/72/88/403577288.db2.gz KCYSREHGMZUUOS-GOSISDBHSA-N 1 1 312.461 2.411 50 30 DEEAMO CCCCc1nc(NCCNc2nccnc2C#N)cc(C)[nH+]1 ZINC000534649317 421694253 /nfs/dbraw/zinc/69/42/53/421694253.db2.gz UBNVVFWIHNERDD-UHFFFAOYSA-N 1 1 311.393 2.313 50 30 DEEAMO CCCCOc1ccc(C(C)=NNC2=[NH+]CCN2)cc1[N+](=O)[O-] ZINC000004949079 520852301 /nfs/dbraw/zinc/85/23/01/520852301.db2.gz GDOHTDAIGMHVTQ-WOJGMQOQSA-N 1 1 319.365 2.047 50 30 DEEAMO CC[NH+]=C(NCCN1CCCC[C@H]1C)NCc1ccccn1 ZINC000095350514 684052892 /nfs/dbraw/zinc/05/28/92/684052892.db2.gz QOKASJILNDQWNG-OAHLLOKOSA-N 1 1 303.454 2.011 50 30 DEEAMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)ccc1S(C)(=O)=O ZINC000585135119 357336502 /nfs/dbraw/zinc/33/65/02/357336502.db2.gz YIRAFHGLTHYJAJ-GFCCVEGCSA-N 1 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N#CCN(CC#N)C(=O)CC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000069438259 402223503 /nfs/dbraw/zinc/22/35/03/402223503.db2.gz UDYOLHBZHIYDNJ-INIZCTEOSA-N 1 1 302.422 2.297 50 30 DEEAMO N#Cc1cccnc1N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000108119105 402246939 /nfs/dbraw/zinc/24/69/39/402246939.db2.gz WDVGZNPCJBTETF-ROUUACIJSA-N 1 1 322.412 2.248 50 30 DEEAMO Cn1cc(-c2c(C#N)c(N)nc3c2[C@H]2CCC[C@@H](C3)[N@H+]2C)cn1 ZINC000071747665 402276517 /nfs/dbraw/zinc/27/65/17/402276517.db2.gz AOTVBSXCZFJPNX-SMDDNHRTSA-N 1 1 308.389 2.017 50 30 DEEAMO C[N@H+]1CCO[C@H]2CN(c3cc(C#N)ccc3C(F)(F)F)C[C@H]21 ZINC000253370847 402663007 /nfs/dbraw/zinc/66/30/07/402663007.db2.gz XCGKGLAZVWNBLB-KGLIPLIRSA-N 1 1 311.307 2.096 50 30 DEEAMO CCOc1ccc(C#N)cc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343274434 403521016 /nfs/dbraw/zinc/52/10/16/403521016.db2.gz BFTUGNBPEXVNRZ-UHFFFAOYSA-N 1 1 314.389 2.340 50 30 DEEAMO Cc1[nH+]cc2n1C[C@H](C(=O)NC1(c3cccc(C#N)c3)CC1)CC2 ZINC000408521922 227239610 /nfs/dbraw/zinc/23/96/10/227239610.db2.gz 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CC(C)C[N@@H+](CCC#N)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711772 519714868 /nfs/dbraw/zinc/71/48/68/519714868.db2.gz NRTDQJBSEOISPW-OAHLLOKOSA-N 1 1 321.377 2.206 50 30 DEEAMO COc1cc(OC)cc(C(=O)ONC(=[NH2+])c2cccc(C)c2)c1 ZINC000006815691 522859306 /nfs/dbraw/zinc/85/93/06/522859306.db2.gz DGXINPJSMQYSBL-UHFFFAOYSA-N 1 1 314.341 2.490 50 30 DEEAMO CC[NH+]=C(NCCN1CCCC[C@@H]1C)NCc1ccccn1 ZINC000095350513 641149500 /nfs/dbraw/zinc/14/95/00/641149500.db2.gz QOKASJILNDQWNG-HNNXBMFYSA-N 1 1 303.454 2.011 50 30 DEEAMO C[NH+](C)C1(CNCc2cc(C#CCO)cs2)CCCCC1 ZINC000952868119 792785169 /nfs/dbraw/zinc/78/51/69/792785169.db2.gz YYPUTSUPJOOMMH-UHFFFAOYSA-N 1 1 306.475 2.446 50 30 DEEAMO C#CCCC1(CCC(=O)NC[C@@H](c2ccco2)[NH+](C)C)N=N1 ZINC000952880541 792794226 /nfs/dbraw/zinc/79/42/26/792794226.db2.gz GNROEYWCGBBUPR-ZDUSSCGKSA-N 1 1 302.378 2.354 50 30 DEEAMO C#CC[C@@H](C)OC(=O)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000095456287 185369975 /nfs/dbraw/zinc/36/99/75/185369975.db2.gz 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DEEAMO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000585128397 405874209 /nfs/dbraw/zinc/87/42/09/405874209.db2.gz ADZFIBDRHCIEKD-INIZCTEOSA-N 1 1 301.434 2.371 50 30 DEEAMO COc1ccc(OC)c(CN2CC[NH+](CCCC#N)CC2)c1 ZINC000048368170 424832691 /nfs/dbraw/zinc/83/26/91/424832691.db2.gz FYYVRVWOILDRHQ-UHFFFAOYSA-N 1 1 303.406 2.125 50 30 DEEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccc(C)cc2)cc1OC ZINC000004977858 523369521 /nfs/dbraw/zinc/36/95/21/523369521.db2.gz FULNMGPFYZPZCD-UHFFFAOYSA-N 1 1 314.341 2.490 50 30 DEEAMO COc1ccc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000032831885 524003083 /nfs/dbraw/zinc/00/30/83/524003083.db2.gz SOIVXAFRVOIYDH-QGZVFWFLSA-N 1 1 303.406 2.181 50 30 DEEAMO COc1ccc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000032831885 524003085 /nfs/dbraw/zinc/00/30/85/524003085.db2.gz SOIVXAFRVOIYDH-QGZVFWFLSA-N 1 1 303.406 2.181 50 30 DEEAMO C=CCN1CC[N@H+](Cc2cccn2-c2ccccn2)CCC1=O ZINC000011913351 635887817 /nfs/dbraw/zinc/88/78/17/635887817.db2.gz 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/nfs/dbraw/zinc/80/42/19/526804219.db2.gz PUJVCAFOUUKAFH-UHFFFAOYSA-N 1 1 306.369 2.455 50 30 biogenic DEEAMO C[NH+]1CCN(N=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000254738438 685197826 /nfs/dbraw/zinc/19/78/26/685197826.db2.gz CGHXVZPWFPXISB-UHFFFAOYSA-N 1 1 314.345 2.436 50 30 DEEAMO C#CCCC1(CCC(=O)NC[C@@H]2C[N@@H+](C)CCC2(F)F)N=N1 ZINC000952880186 792795192 /nfs/dbraw/zinc/79/51/92/792795192.db2.gz DHWKALNAWPYKSU-GFCCVEGCSA-N 1 1 312.364 2.045 50 30 DEEAMO COc1ccc([C@H]2[C@H](CNc3nccnc3C#N)CC[N@H+]2C)cc1 ZINC000095397633 185353282 /nfs/dbraw/zinc/35/32/82/185353282.db2.gz JONICFQYFHJMFP-YOEHRIQHSA-N 1 1 323.400 2.462 50 30 DEEAMO Cc1[nH+]ccn1C1(C(=O)[O-])CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000072436270 191165666 /nfs/dbraw/zinc/16/56/66/191165666.db2.gz XOJIOXNPCLFVHC-UHFFFAOYSA-N 1 1 324.384 2.139 50 30 DEEAMO COCCn1cc[nH+]c1C1CCN(c2cccc(C#N)n2)CC1 ZINC000091434316 193054779 /nfs/dbraw/zinc/05/47/79/193054779.db2.gz MVPNQAJFKNIJRH-UHFFFAOYSA-N 1 1 311.389 2.180 50 30 DEEAMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000057379217 184036328 /nfs/dbraw/zinc/03/63/28/184036328.db2.gz XLTNJTXBQXNKQV-MRXNPFEDSA-N 1 1 301.390 2.388 50 30 DEEAMO C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000031663897 401873129 /nfs/dbraw/zinc/87/31/29/401873129.db2.gz KHKGZFCAQZUPGU-BFHYXJOUSA-N 1 1 316.405 2.177 50 30 DEEAMO N#Cc1ccc(NC(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000069460721 402225179 /nfs/dbraw/zinc/22/51/79/402225179.db2.gz DWEYWVCEGRONSI-UHFFFAOYSA-N 1 1 322.796 2.055 50 30 DEEAMO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000107149595 402226685 /nfs/dbraw/zinc/22/66/85/402226685.db2.gz ZDHRNWFLBGNUCG-KBPBESRZSA-N 1 1 306.431 2.452 50 30 DEEAMO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000107149595 402226687 /nfs/dbraw/zinc/22/66/87/402226687.db2.gz ZDHRNWFLBGNUCG-KBPBESRZSA-N 1 1 306.431 2.452 50 30 DEEAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)COc1ccc(C#N)cc1 ZINC000069557602 402230513 /nfs/dbraw/zinc/23/05/13/402230513.db2.gz XXHGBSJRMBWCHF-SJORKVTESA-N 1 1 313.401 2.022 50 30 DEEAMO N#Cc1cccnc1NC[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000222202565 402306211 /nfs/dbraw/zinc/30/62/11/402306211.db2.gz MBOSVQPSDKLSQV-MAUKXSAKSA-N 1 1 322.412 2.421 50 30 DEEAMO C=CCc1ccccc1OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000169685489 402501945 /nfs/dbraw/zinc/50/19/45/402501945.db2.gz VHNWBUCAXBKHCL-YQQAZPJKSA-N 1 1 305.418 2.264 50 30 DEEAMO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000240551434 533962704 /nfs/dbraw/zinc/96/27/04/533962704.db2.gz GTQSRSGUFFCWDR-ZBFHGGJFSA-N 1 1 313.401 2.022 50 30 DEEAMO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000240551434 533962717 /nfs/dbraw/zinc/96/27/17/533962717.db2.gz GTQSRSGUFFCWDR-ZBFHGGJFSA-N 1 1 313.401 2.022 50 30 DEEAMO C#CCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000036102501 518304772 /nfs/dbraw/zinc/30/47/72/518304772.db2.gz NCUZHBFAQFINFH-KRWDZBQOSA-N 1 1 317.360 2.432 50 30 DEEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000036102501 518304779 /nfs/dbraw/zinc/30/47/79/518304779.db2.gz NCUZHBFAQFINFH-KRWDZBQOSA-N 1 1 317.360 2.432 50 30 DEEAMO COc1ccc(C(=[NH2+])NOC(=O)c2cccc(C)c2)cc1OC ZINC000004985734 523370590 /nfs/dbraw/zinc/37/05/90/523370590.db2.gz MKBDNQPNVJWUFR-UHFFFAOYSA-N 1 1 314.341 2.490 50 30 DEEAMO N#Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccoc3)C2)c[nH]1 ZINC000826756044 783657669 /nfs/dbraw/zinc/65/76/69/783657669.db2.gz FFRRUFBJUPOPAH-ZDUSSCGKSA-N 1 1 312.373 2.121 50 30 DEEAMO CC[N@@H+]1CCCC[C@H]1CNCc1ccc(C#CCCO)cc1 ZINC000952981751 792858373 /nfs/dbraw/zinc/85/83/73/792858373.db2.gz KFZSQCHHCLVARH-IBGZPJMESA-N 1 1 300.446 2.385 50 30 DEEAMO CC[N@H+]1CCCC[C@H]1CNCc1ccc(C#CCCO)cc1 ZINC000952981751 792858381 /nfs/dbraw/zinc/85/83/81/792858381.db2.gz KFZSQCHHCLVARH-IBGZPJMESA-N 1 1 300.446 2.385 50 30 DEEAMO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](CNc3ncccc3C#N)C2)o1 ZINC000065512259 354684463 /nfs/dbraw/zinc/68/44/63/354684463.db2.gz CAZWXFVPRZAOHT-DGCLKSJQSA-N 1 1 312.377 2.140 50 30 DEEAMO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](CNc3ncccc3C#N)C2)o1 ZINC000065512259 354684465 /nfs/dbraw/zinc/68/44/65/354684465.db2.gz CAZWXFVPRZAOHT-DGCLKSJQSA-N 1 1 312.377 2.140 50 30 DEEAMO N#Cc1ccc(C(F)(F)F)c(N2CC[N@@H+]3CCOC[C@H]3C2)c1 ZINC000363704983 257234865 /nfs/dbraw/zinc/23/48/65/257234865.db2.gz WFXTWZSLVGHHKG-GFCCVEGCSA-N 1 1 311.307 2.098 50 30 DEEAMO N#Cc1ccc(C(F)(F)F)c(N2CC[N@H+]3CCOC[C@H]3C2)c1 ZINC000363704983 257234867 /nfs/dbraw/zinc/23/48/67/257234867.db2.gz WFXTWZSLVGHHKG-GFCCVEGCSA-N 1 1 311.307 2.098 50 30 DEEAMO C[N@H+](CC#CC[C@](O)(c1ccccc1)C1CCCC1)CCO ZINC000006546332 401731771 /nfs/dbraw/zinc/73/17/71/401731771.db2.gz FMTVDAVEMJPYGR-IBGZPJMESA-N 1 1 301.430 2.382 50 30 DEEAMO CN1CCN(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)C1=O ZINC000071871865 401689911 /nfs/dbraw/zinc/68/99/11/401689911.db2.gz ONMNHHUFQCMIBC-UHFFFAOYSA-N 1 1 316.380 2.029 50 30 DEEAMO N#Cc1ccc(OCC[N@H+]2CCCC[C@H]2Cn2cncn2)cc1 ZINC000071876132 401690479 /nfs/dbraw/zinc/69/04/79/401690479.db2.gz DOEBFUFDYKBMGN-INIZCTEOSA-N 1 1 311.389 2.083 50 30 DEEAMO COc1c(C)c[nH+]c(CN2CCN([C@H](C#N)C(C)C)CC2)c1C ZINC000071893617 401693563 /nfs/dbraw/zinc/69/35/63/401693563.db2.gz LJCVPSHZMJSHGJ-QGZVFWFLSA-N 1 1 316.449 2.373 50 30 DEEAMO C=C(C)C[N@H+](C)C[C@@]1(O)CCCN(Cc2cccc(C)c2)C1=O ZINC000012055094 401778992 /nfs/dbraw/zinc/77/89/92/401778992.db2.gz HSMLLRRBRCNCCC-IBGZPJMESA-N 1 1 316.445 2.356 50 30 DEEAMO C=C(C)C[N@H+](C)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000012210206 401781659 /nfs/dbraw/zinc/78/16/59/401781659.db2.gz ZSMMQNDDJHZUHO-SFHVURJKSA-N 1 1 320.408 2.187 50 30 DEEAMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000012758563 401791100 /nfs/dbraw/zinc/79/11/00/401791100.db2.gz QLFZEKQHMLISBS-OAHLLOKOSA-N 1 1 304.390 2.143 50 30 DEEAMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000012758563 401791101 /nfs/dbraw/zinc/79/11/01/401791101.db2.gz QLFZEKQHMLISBS-OAHLLOKOSA-N 1 1 304.390 2.143 50 30 DEEAMO C#CC[N@H+]1C[C@H](C)[C@@](O)(P(=O)(OCC)OCC)C[C@@H]1C ZINC000020677074 401824334 /nfs/dbraw/zinc/82/43/34/401824334.db2.gz YQHKTBCGKFOUQO-IHRRRGAJSA-N 1 1 303.339 2.305 50 30 DEEAMO N#Cc1ccc(OCCC[N@H+](CC(N)=O)C2CCCC2)cc1 ZINC000052826689 402047539 /nfs/dbraw/zinc/04/75/39/402047539.db2.gz ZLDLKXMJXZAXDY-UHFFFAOYSA-N 1 1 301.390 2.057 50 30 DEEAMO C=CC[N@H+](Cc1ccccn1)C[C@H]1[C@@H]2CN(C(=O)C3CC3)C[C@H]12 ZINC000102677315 402170384 /nfs/dbraw/zinc/17/03/84/402170384.db2.gz HEFFSQNLZSMTDW-NNZMDNLPSA-N 1 1 311.429 2.184 50 30 DEEAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)COc2ccc(C#N)cc2)C1 ZINC000069875117 402248864 /nfs/dbraw/zinc/24/88/64/402248864.db2.gz SUXKPNWXPBAHIW-INIZCTEOSA-N 1 1 324.384 2.306 50 30 DEEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245326572 402453401 /nfs/dbraw/zinc/45/34/01/402453401.db2.gz GDSNVLBXOJGIFI-QZTJIDSGSA-N 1 1 323.408 2.370 50 30 DEEAMO N#Cc1c[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000175566431 402817763 /nfs/dbraw/zinc/81/77/63/402817763.db2.gz OBVCRGWHDOOABP-INIZCTEOSA-N 1 1 322.412 2.181 50 30 DEEAMO N#CCC[C@@H](C#N)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000025231077 526463474 /nfs/dbraw/zinc/46/34/74/526463474.db2.gz GGPMLUNKYNPHRR-KRWDZBQOSA-N 1 1 312.417 2.127 50 30 DEEAMO CC[C@H](C)[C@H]([NH2+]Cc1ccc(C#N)cc1Br)C(N)=O ZINC000097233198 355703154 /nfs/dbraw/zinc/70/31/54/355703154.db2.gz ASWNDUDPWDQHST-ZANVPECISA-N 1 1 324.222 2.310 50 30 DEEAMO Cc1cc(C#N)c(NCCC[N@H+]2CCCC[C@@H]2CO)nc1C ZINC000670454403 540936318 /nfs/dbraw/zinc/93/63/18/540936318.db2.gz SZOGHGRKDYQQFN-MRXNPFEDSA-N 1 1 302.422 2.219 50 30 DEEAMO N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)c2ccccc2)CC1 ZINC000065475132 184352136 /nfs/dbraw/zinc/35/21/36/184352136.db2.gz XGYUFIHPTFUHTM-GOSISDBHSA-N 1 1 322.412 2.199 50 30 DEEAMO N#Cc1c(F)cccc1N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000072313864 401709242 /nfs/dbraw/zinc/70/92/42/401709242.db2.gz NVZQWRFWUMFZLV-UONOGXRCSA-N 1 1 303.381 2.123 50 30 DEEAMO COc1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000013686495 401802955 /nfs/dbraw/zinc/80/29/55/401802955.db2.gz UDLZWVQGPLAEOM-UHFFFAOYSA-N 1 1 309.435 2.115 50 30 DEEAMO Cc1nnc(N2CC[NH+](Cc3cccs3)CC2)c(C#N)c1C ZINC000024054414 401828956 /nfs/dbraw/zinc/82/89/56/401828956.db2.gz GNFKNGHJSIZPES-UHFFFAOYSA-N 1 1 313.430 2.349 50 30 DEEAMO CS[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000033226782 401889654 /nfs/dbraw/zinc/88/96/54/401889654.db2.gz QRYBQQJSYKWOAM-AWEZNQCLSA-N 1 1 317.458 2.344 50 30 DEEAMO CS[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000033226782 401889656 /nfs/dbraw/zinc/88/96/56/401889656.db2.gz QRYBQQJSYKWOAM-AWEZNQCLSA-N 1 1 317.458 2.344 50 30 DEEAMO C[N@H+](CC(=O)NCCC#N)Cc1ccccc1N1CCCCC1 ZINC000044889357 401949263 /nfs/dbraw/zinc/94/92/63/401949263.db2.gz CMFSCUCMVCZKRO-UHFFFAOYSA-N 1 1 314.433 2.139 50 30 DEEAMO C[N@@H+](CC(=O)NCCC#N)Cc1ccccc1N1CCCCC1 ZINC000044889357 401949268 /nfs/dbraw/zinc/94/92/68/401949268.db2.gz CMFSCUCMVCZKRO-UHFFFAOYSA-N 1 1 314.433 2.139 50 30 DEEAMO N#Cc1cccc(OC2CC[NH+](C[C@H](O)C(F)(F)F)CC2)c1 ZINC000121216096 402021159 /nfs/dbraw/zinc/02/11/59/402021159.db2.gz XVVHJAKGCYEAIZ-AWEZNQCLSA-N 1 1 314.307 2.325 50 30 DEEAMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CCCO)o2)c1 ZINC000096441400 402087603 /nfs/dbraw/zinc/08/76/03/402087603.db2.gz SAYXJNYEUMKMTG-OAHLLOKOSA-N 1 1 312.373 2.345 50 30 DEEAMO N#Cc1nccnc1NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000096459012 402092235 /nfs/dbraw/zinc/09/22/35/402092235.db2.gz XAMMVGQRPVZHDI-UHFFFAOYSA-N 1 1 315.421 2.043 50 30 DEEAMO Cn1c2ccccc2nc(C[N@H+](C)Cc2cccc(C#N)c2)c1=O ZINC000097201424 402116779 /nfs/dbraw/zinc/11/67/79/402116779.db2.gz VXIFZSPUPZCCBS-UHFFFAOYSA-N 1 1 318.380 2.437 50 30 DEEAMO Cn1c2ccccc2nc(C[N@@H+](C)Cc2cccc(C#N)c2)c1=O ZINC000097201424 402116780 /nfs/dbraw/zinc/11/67/80/402116780.db2.gz VXIFZSPUPZCCBS-UHFFFAOYSA-N 1 1 318.380 2.437 50 30 DEEAMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2Cn2cncn2)cc1 ZINC000069665171 402237865 /nfs/dbraw/zinc/23/78/65/402237865.db2.gz IREHRERUCKTGMH-MRXNPFEDSA-N 1 1 311.389 2.083 50 30 DEEAMO C=CCC[C@H](O)C[N@H+](CCOC)Cc1cc(OC)cc(OC)c1 ZINC000036095047 518724426 /nfs/dbraw/zinc/72/44/26/518724426.db2.gz IGHOFEYMFKMZOG-INIZCTEOSA-N 1 1 323.433 2.479 50 30 DEEAMO CC(C)n1cc(C#N)c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000241897378 528547707 /nfs/dbraw/zinc/54/77/07/528547707.db2.gz TYFWFOQHCYAQQP-OCCSQVGLSA-N 1 1 316.409 2.036 50 30 DEEAMO CC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000585126956 790319420 /nfs/dbraw/zinc/31/94/20/790319420.db2.gz MCMODFHYPACJDM-RVKKMQEKSA-N 1 1 324.428 2.182 50 30 DEEAMO C#CCCC1(CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)N=N1 ZINC000952879694 792793586 /nfs/dbraw/zinc/79/35/86/792793586.db2.gz ABJPAUZTSRKYTA-CABCVRRESA-N 1 1 302.422 2.285 50 30 DEEAMO C=CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000952961165 792805650 /nfs/dbraw/zinc/80/56/50/792805650.db2.gz QREGTQQSTROLJG-INIZCTEOSA-N 1 1 315.417 2.414 50 30 DEEAMO C=CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000952961165 792805664 /nfs/dbraw/zinc/80/56/64/792805664.db2.gz QREGTQQSTROLJG-INIZCTEOSA-N 1 1 315.417 2.414 50 30 DEEAMO C=CCN1CC[N@@H+](Cc2cccc(Cn3cccn3)c2)CCC1=O ZINC001506398630 1061941425 /nfs/dbraw/zinc/94/14/25/1061941425.db2.gz VAGBLKXXEYCATH-UHFFFAOYSA-N 1 1 324.428 2.152 50 30 DEEAMO CN(C)C(=O)ONC(=[NH2+])c1ccc(C2SCCS2)cc1 ZINC000004382688 181104299 /nfs/dbraw/zinc/10/42/99/181104299.db2.gz MQMMTFMFXCGYCV-UHFFFAOYSA-N 1 1 311.432 2.484 50 30 DEEAMO C[N@@H+](CCCC#N)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000071870761 354898125 /nfs/dbraw/zinc/89/81/25/354898125.db2.gz VPQBMGAJCHLSEB-CQSZACIVSA-N 1 1 303.410 2.147 50 30 DEEAMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@H](C)CC#N)C1 ZINC000110640504 355744292 /nfs/dbraw/zinc/74/42/92/355744292.db2.gz DPDCZUBSIBLIQW-NEPJUHHUSA-N 1 1 305.344 2.411 50 30 DEEAMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@H](C)CC#N)C1 ZINC000110640504 355744295 /nfs/dbraw/zinc/74/42/95/355744295.db2.gz DPDCZUBSIBLIQW-NEPJUHHUSA-N 1 1 305.344 2.411 50 30 DEEAMO C=CC[C@]1(CO)CCCN(C(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC000091548487 193071341 /nfs/dbraw/zinc/07/13/41/193071341.db2.gz FNCYFRKMEQAKQT-KRWDZBQOSA-N 1 1 306.406 2.132 50 30 DEEAMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c(F)c1 ZINC000109820316 194289612 /nfs/dbraw/zinc/28/96/12/194289612.db2.gz KAUPWAHZNKPHHG-QGZVFWFLSA-N 1 1 317.408 2.384 50 30 DEEAMO COCCC[N@H+](Cc1ccccc1C#N)C1CCN(C)CC1 ZINC000072161010 401703240 /nfs/dbraw/zinc/70/32/40/401703240.db2.gz ODWLUUSPUTUGBJ-UHFFFAOYSA-N 1 1 301.434 2.491 50 30 DEEAMO COCCC[N@@H+](Cc1ccccc1C#N)C1CCN(C)CC1 ZINC000072161010 401703241 /nfs/dbraw/zinc/70/32/41/401703241.db2.gz ODWLUUSPUTUGBJ-UHFFFAOYSA-N 1 1 301.434 2.491 50 30 DEEAMO Cc1cc(C(=O)ONC(=[NH2+])c2ccccc2)nn1C(C)(C)C ZINC000008536247 401754080 /nfs/dbraw/zinc/75/40/80/401754080.db2.gz KUPHDFBTVRWGCC-UHFFFAOYSA-N 1 1 300.362 2.424 50 30 DEEAMO C[C@@H]1C[NH+](C[C@H](O)COc2cccc(Cl)c2C#N)C[C@@H](C)O1 ZINC000095974941 402039970 /nfs/dbraw/zinc/03/99/70/402039970.db2.gz MEOMGCSOTHHKJU-UPJWGTAASA-N 1 1 324.808 2.061 50 30 DEEAMO C=CCn1cc(C[N@@H+](C)C[C@H]2CC(=O)N(C(C)(C)C)C2)c(C)n1 ZINC000055182466 402077008 /nfs/dbraw/zinc/07/70/08/402077008.db2.gz QYTHTXFCYNVWFM-OAHLLOKOSA-N 1 1 318.465 2.456 50 30 DEEAMO Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000098211980 402139223 /nfs/dbraw/zinc/13/92/23/402139223.db2.gz ODUSMFCOBUCDBZ-INIZCTEOSA-N 1 1 324.384 2.167 50 30 DEEAMO Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000098211980 402139227 /nfs/dbraw/zinc/13/92/27/402139227.db2.gz ODUSMFCOBUCDBZ-INIZCTEOSA-N 1 1 324.384 2.167 50 30 DEEAMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000106849217 402218034 /nfs/dbraw/zinc/21/80/34/402218034.db2.gz NGFWYPVAGOLFEX-CXAGYDPISA-N 1 1 303.406 2.439 50 30 DEEAMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000106849217 402218035 /nfs/dbraw/zinc/21/80/35/402218035.db2.gz NGFWYPVAGOLFEX-CXAGYDPISA-N 1 1 303.406 2.439 50 30 DEEAMO C=C(Br)C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125356202 402227705 /nfs/dbraw/zinc/22/77/05/402227705.db2.gz NQZNDMZPKQGOGP-YPMHNXCESA-N 1 1 313.239 2.370 50 30 DEEAMO C=C(Br)C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125356202 402227708 /nfs/dbraw/zinc/22/77/08/402227708.db2.gz NQZNDMZPKQGOGP-YPMHNXCESA-N 1 1 313.239 2.370 50 30 DEEAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C#N)cc1F ZINC000069700357 402239369 /nfs/dbraw/zinc/23/93/69/402239369.db2.gz RZPNNFZLVJLIMM-CYBMUJFWSA-N 1 1 318.396 2.371 50 30 DEEAMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(F)cc2C#N)CC1 ZINC000189447241 402537317 /nfs/dbraw/zinc/53/73/17/402537317.db2.gz ZZHNPOWAGDUXKK-AWEZNQCLSA-N 1 1 304.413 2.383 50 30 DEEAMO Cc1ccc(-c2cc(N3CC[NH+](C)CC3)c(C#N)c(=O)o2)cc1 ZINC000585145647 563781560 /nfs/dbraw/zinc/78/15/60/563781560.db2.gz OCYQTOHUWZRHEF-UHFFFAOYSA-N 1 1 309.369 2.239 50 30 DEEAMO C=CCNC(=O)NCC1=CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000065459965 683923547 /nfs/dbraw/zinc/92/35/47/683923547.db2.gz 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CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)CCC#N)C12CCCC2 ZINC000096419744 402082136 /nfs/dbraw/zinc/08/21/36/402082136.db2.gz METGOMVMJZDURX-GJZGRUSLSA-N 1 1 307.438 2.028 50 30 DEEAMO Cc1[nH+]ccn1CCCNC(=O)NCc1cc(C#N)ccc1F ZINC000096439215 402086751 /nfs/dbraw/zinc/08/67/51/402086751.db2.gz LIFOGZCDFLMGQX-UHFFFAOYSA-N 1 1 315.352 2.092 50 30 DEEAMO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000097033652 402100469 /nfs/dbraw/zinc/10/04/69/402100469.db2.gz BDFQRNTXQFACRR-QGZVFWFLSA-N 1 1 314.410 2.434 50 30 DEEAMO N#CCCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000058506747 402101777 /nfs/dbraw/zinc/10/17/77/402101777.db2.gz OZOLRCGYKXANHY-UHFFFAOYSA-N 1 1 309.211 2.270 50 30 DEEAMO Cc1ncc2c(n1)C[N@@H+](CCCOc1ccc(C#N)cc1)CC2 ZINC000069516552 402227855 /nfs/dbraw/zinc/22/78/55/402227855.db2.gz FVOCDDGMEJRWRS-UHFFFAOYSA-N 1 1 308.385 2.484 50 30 DEEAMO Cc1ncc2c(n1)C[N@H+](CCCOc1ccc(C#N)cc1)CC2 ZINC000069516552 402227857 /nfs/dbraw/zinc/22/78/57/402227857.db2.gz FVOCDDGMEJRWRS-UHFFFAOYSA-N 1 1 308.385 2.484 50 30 DEEAMO CC(C)(C)[C@H](O)C[NH+]1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000069949688 402252690 /nfs/dbraw/zinc/25/26/90/402252690.db2.gz VRRZIQBQVVDMFW-OAHLLOKOSA-N 1 1 321.465 2.012 50 30 DEEAMO N#Cc1ccc(NC[C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)nc1 ZINC000222200658 402306128 /nfs/dbraw/zinc/30/61/28/402306128.db2.gz HQNVHOBNPJHOBD-FUHWJXTLSA-N 1 1 322.412 2.421 50 30 DEEAMO N#Cc1ccc(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000240333525 402442491 /nfs/dbraw/zinc/44/24/91/402442491.db2.gz FDZDEBVZXOQGNO-GOSISDBHSA-N 1 1 305.381 2.449 50 30 DEEAMO N#Cc1ccc(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000240333525 402442494 /nfs/dbraw/zinc/44/24/94/402442494.db2.gz FDZDEBVZXOQGNO-GOSISDBHSA-N 1 1 305.381 2.449 50 30 DEEAMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCCOCC2)CC1 ZINC000328789398 404151834 /nfs/dbraw/zinc/15/18/34/404151834.db2.gz YFMGTVIZPWVWFM-CYBMUJFWSA-N 1 1 306.410 2.162 50 30 DEEAMO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](CCC#N)CC2)c1 ZINC000049750681 424836711 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Cc1ccc(N2CCC[C@@H]([N@H+](C)C[C@H](C#N)CCC#N)C2)nn1 ZINC000072253905 354899250 /nfs/dbraw/zinc/89/92/50/354899250.db2.gz IPGFARAGHVNUCF-JKSUJKDBSA-N 1 1 312.421 2.129 50 30 DEEAMO Cc1ccc(N2CCC[C@@H]([N@@H+](C)C[C@H](C#N)CCC#N)C2)nn1 ZINC000072253905 354899255 /nfs/dbraw/zinc/89/92/55/354899255.db2.gz IPGFARAGHVNUCF-JKSUJKDBSA-N 1 1 312.421 2.129 50 30 DEEAMO COc1ccc(C(=[NH2+])NOC(=O)c2cccs2)cc1OC ZINC000013555510 181861454 /nfs/dbraw/zinc/86/14/54/181861454.db2.gz WMYWBBRHBJQMIC-UHFFFAOYSA-N 1 1 306.343 2.243 50 30 DEEAMO OCC[C@@H]1CN(CC#Cc2ccccc2)CC[N@H+]1C1CCCC1 ZINC000019220806 182108053 /nfs/dbraw/zinc/10/80/53/182108053.db2.gz XUZRTPJHZJENOI-HXUWFJFHSA-N 1 1 312.457 2.349 50 30 DEEAMO N#Cc1ccc(CSCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000058179469 184085008 /nfs/dbraw/zinc/08/50/08/184085008.db2.gz BPSSVSUBAUYOIS-HNNXBMFYSA-N 1 1 315.442 2.144 50 30 DEEAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](CNc2ccc(C#N)cn2)C1 ZINC000065512244 184357532 /nfs/dbraw/zinc/35/75/32/184357532.db2.gz 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CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)CC#N)C1 ZINC000245289711 527966751 /nfs/dbraw/zinc/96/67/51/527966751.db2.gz DPDCZUBSIBLIQW-VXGBXAGGSA-N 1 1 305.344 2.411 50 30 DEEAMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@H](C)CC#N)C1 ZINC000245289711 527966758 /nfs/dbraw/zinc/96/67/58/527966758.db2.gz DPDCZUBSIBLIQW-VXGBXAGGSA-N 1 1 305.344 2.411 50 30 DEEAMO N#Cc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1 ZINC000037132999 721951532 /nfs/dbraw/zinc/95/15/32/721951532.db2.gz BJKYGPLSOMQFOG-UHFFFAOYSA-N 1 1 308.385 2.154 50 30 DEEAMO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCc2ccccc2C1 ZINC000252477129 529837197 /nfs/dbraw/zinc/83/71/97/529837197.db2.gz IRIVYHWEEZUTSY-PKOBYXMFSA-N 1 1 311.429 2.284 50 30 DEEAMO Cc1c(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C)C2)cc(C#N)n1C ZINC000072170020 191067907 /nfs/dbraw/zinc/06/79/07/191067907.db2.gz AVCJWWJSIPUWIL-OAHLLOKOSA-N 1 1 316.449 2.286 50 30 DEEAMO C=CC[C@@]1(CO)CCCN(C(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC000091548485 193071677 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C[N@H+]1CCO[C@H]2CN(c3cc(C#N)ccc3C(F)(F)F)C[C@@H]21 ZINC000127200024 277131015 /nfs/dbraw/zinc/13/10/15/277131015.db2.gz XCGKGLAZVWNBLB-KBPBESRZSA-N 1 1 311.307 2.096 50 30 DEEAMO C[N@H+]1CCO[C@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)C[C@H]21 ZINC000230217327 277131458 /nfs/dbraw/zinc/13/14/58/277131458.db2.gz GIXIBSFKMZFZIC-KGLIPLIRSA-N 1 1 311.307 2.096 50 30 DEEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036097025 518987809 /nfs/dbraw/zinc/98/78/09/518987809.db2.gz ICMKXSJWVSNZGD-ROUUACIJSA-N 1 1 305.418 2.231 50 30 DEEAMO N#CCC[C@H](C#N)CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000025231073 526465513 /nfs/dbraw/zinc/46/55/13/526465513.db2.gz GGPMLUNKYNPHRR-QGZVFWFLSA-N 1 1 312.417 2.127 50 30 DEEAMO C#CCCC1(CCC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)N=N1 ZINC000952881154 792796375 /nfs/dbraw/zinc/79/63/75/792796375.db2.gz LAJWLGLGLACNLF-LSDHHAIUSA-N 1 1 302.422 2.475 50 30 DEEAMO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CCCCCC3)C2)c1 ZINC000097011602 185396998 /nfs/dbraw/zinc/39/69/98/185396998.db2.gz JPIWTCYQNJQARO-CQSZACIVSA-N 1 1 300.406 2.413 50 30 DEEAMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cccc(C#N)c2)cc1 ZINC000073306463 191302597 /nfs/dbraw/zinc/30/25/97/191302597.db2.gz CEEKDJZINQVOJF-UHFFFAOYSA-N 1 1 322.368 2.311 50 30 DEEAMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000229559538 356282107 /nfs/dbraw/zinc/28/21/07/356282107.db2.gz XWFASICDFNIDJX-OWCLPIDISA-N 1 1 302.422 2.295 50 30 DEEAMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000229559538 356282108 /nfs/dbraw/zinc/28/21/08/356282108.db2.gz XWFASICDFNIDJX-OWCLPIDISA-N 1 1 302.422 2.295 50 30 DEEAMO C=CCc1ccccc1OC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000019607503 182133479 /nfs/dbraw/zinc/13/34/79/182133479.db2.gz VHNWBUCAXBKHCL-BFYDXBDKSA-N 1 1 305.418 2.264 50 30 DEEAMO Cc1nc(C[N@@H+]2CC[C@@H](CNc3ncccc3C#N)C2)oc1C ZINC000065531094 184361283 /nfs/dbraw/zinc/36/12/83/184361283.db2.gz QTOQGMUFBFICKC-AWEZNQCLSA-N 1 1 311.389 2.492 50 30 DEEAMO Cc1nc(C[N@H+]2CC[C@@H](CNc3ncccc3C#N)C2)oc1C ZINC000065531094 184361285 /nfs/dbraw/zinc/36/12/85/184361285.db2.gz QTOQGMUFBFICKC-AWEZNQCLSA-N 1 1 311.389 2.492 50 30 DEEAMO N#CCN(CC#N)C(=O)CC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000069438263 184514888 /nfs/dbraw/zinc/51/48/88/184514888.db2.gz UDYOLHBZHIYDNJ-MRXNPFEDSA-N 1 1 302.422 2.297 50 30 DEEAMO C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 ZINC000075172925 401753776 /nfs/dbraw/zinc/75/37/76/401753776.db2.gz HLYCJMKXSWKNHW-UHFFFAOYSA-N 1 1 318.376 2.418 50 30 DEEAMO COc1ccnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000009389968 401762442 /nfs/dbraw/zinc/76/24/42/401762442.db2.gz ONNYGLYKWVLFEI-UHFFFAOYSA-N 1 1 323.400 2.069 50 30 DEEAMO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000028894079 401853474 /nfs/dbraw/zinc/85/34/74/401853474.db2.gz CSNFYKKLSFCQDD-LLVKDONJSA-N 1 1 319.430 2.158 50 30 DEEAMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1 ZINC000028894079 401853476 /nfs/dbraw/zinc/85/34/76/401853476.db2.gz CSNFYKKLSFCQDD-LLVKDONJSA-N 1 1 319.430 2.158 50 30 DEEAMO N#Cc1ccc(OCC[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000030349962 401863039 /nfs/dbraw/zinc/86/30/39/401863039.db2.gz YNLYMJUNPUHHIV-UHFFFAOYSA-N 1 1 314.414 2.216 50 30 DEEAMO C#CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCc2ccccc21 ZINC000052845797 402047586 /nfs/dbraw/zinc/04/75/86/402047586.db2.gz PGLLYIKCIBVCID-QUCCMNQESA-N 1 1 321.424 2.418 50 30 DEEAMO C#CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCc2ccccc21 ZINC000052845797 402047589 /nfs/dbraw/zinc/04/75/89/402047589.db2.gz PGLLYIKCIBVCID-QUCCMNQESA-N 1 1 321.424 2.418 50 30 DEEAMO CC1([C@@H]2CCC[N@@H+](CCOc3cccc(C#N)c3)C2)OCCO1 ZINC000097086624 402105797 /nfs/dbraw/zinc/10/57/97/402105797.db2.gz PTJKZPKOIQFENB-MRXNPFEDSA-N 1 1 316.401 2.412 50 30 DEEAMO C[N@H+](Cc1ncccn1)[C@@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000278855505 402878299 /nfs/dbraw/zinc/87/82/99/402878299.db2.gz XUWKTWAKSMYLST-OAHLLOKOSA-N 1 1 311.364 2.198 50 30 DEEAMO C[N@@H+](Cc1ncccn1)[C@@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000278855505 402878302 /nfs/dbraw/zinc/87/83/02/402878302.db2.gz XUWKTWAKSMYLST-OAHLLOKOSA-N 1 1 311.364 2.198 50 30 DEEAMO C=CCOC[C@@H](O)C[N@H+](CCCOC)Cc1ccc(F)cc1 ZINC000036095478 518984226 /nfs/dbraw/zinc/98/42/26/518984226.db2.gz KLNPDEJUZGGEGZ-KRWDZBQOSA-N 1 1 311.397 2.228 50 30 DEEAMO C=CCc1ccccc1OCCOCC[NH+]1CCN(C)CC1 ZINC000020118273 519144303 /nfs/dbraw/zinc/14/43/03/519144303.db2.gz JDVUQOHNTKVSGV-UHFFFAOYSA-N 1 1 304.434 2.058 50 30 DEEAMO C=CCNC(=O)CC[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000244858507 526526208 /nfs/dbraw/zinc/52/62/08/526526208.db2.gz VMNIVHZOAYOJMM-UHFFFAOYSA-N 1 1 305.397 2.030 50 30 DEEAMO CC(C)(C)C[N@H+]1CCN(CC#Cc2ccccc2)C[C@@H]1CCO ZINC000020995232 683859490 /nfs/dbraw/zinc/85/94/90/683859490.db2.gz DLJPAIPAHXZAGR-IBGZPJMESA-N 1 1 314.473 2.453 50 30 DEEAMO C#CCCC1(CCC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)N=N1 ZINC000952881722 792797533 /nfs/dbraw/zinc/79/75/33/792797533.db2.gz QZLGOFMFECHJDV-MRXNPFEDSA-N 1 1 302.422 2.286 50 30 DEEAMO C[NH+]1CCN(CCSc2nc3c(cc2C#N)CCCC3)CC1 ZINC000952994625 792857241 /nfs/dbraw/zinc/85/72/41/792857241.db2.gz RUKQMQIGUIRVMC-UHFFFAOYSA-N 1 1 316.474 2.172 50 30 DEEAMO CSC[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083207593 185219321 /nfs/dbraw/zinc/21/93/21/185219321.db2.gz PFFKPUXKEPRSEO-WCQYABFASA-N 1 1 321.471 2.410 50 30 DEEAMO CSC[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083207593 185219322 /nfs/dbraw/zinc/21/93/22/185219322.db2.gz PFFKPUXKEPRSEO-WCQYABFASA-N 1 1 321.471 2.410 50 30 DEEAMO CCC[N@H+]1CCCn2nc(CNc3cccc(C#N)n3)cc2C1 ZINC000082126578 192359490 /nfs/dbraw/zinc/35/94/90/192359490.db2.gz CQWJHQATICHQBW-UHFFFAOYSA-N 1 1 310.405 2.378 50 30 DEEAMO N#Cc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1 ZINC000095389250 185351202 /nfs/dbraw/zinc/35/12/02/185351202.db2.gz KQCYOLKVJNIWKB-ZWKOTPCHSA-N 1 1 309.413 2.391 50 30 DEEAMO COc1ccc([C@H]2[C@@H](CNc3nccnc3C#N)CC[N@H+]2C)cc1 ZINC000095397632 185353134 /nfs/dbraw/zinc/35/31/34/185353134.db2.gz JONICFQYFHJMFP-PBHICJAKSA-N 1 1 323.400 2.462 50 30 DEEAMO N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2CC(N)=O)c1 ZINC000095418509 185359514 /nfs/dbraw/zinc/35/95/14/185359514.db2.gz HIJRESUWPTWJMP-OAHLLOKOSA-N 1 1 301.390 2.057 50 30 DEEAMO C#CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000084630773 539397316 /nfs/dbraw/zinc/39/73/16/539397316.db2.gz QSVDJJLLCKSPMB-CYBMUJFWSA-N 1 1 305.447 2.195 50 30 DEEAMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000084630773 539397320 /nfs/dbraw/zinc/39/73/20/539397320.db2.gz QSVDJJLLCKSPMB-CYBMUJFWSA-N 1 1 305.447 2.195 50 30 DEEAMO C[N@H+]1CCCC[C@@H](CNC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000599069919 359395665 /nfs/dbraw/zinc/39/56/65/359395665.db2.gz CDEMUXIZAVLSDI-AWEZNQCLSA-N 1 1 318.396 2.228 50 30 DEEAMO C=CCN(CC#Cc1ccccc1)C(=O)[C@@H]([NH3+])c1c(C)n[nH]c1C ZINC000091656508 193086204 /nfs/dbraw/zinc/08/62/04/193086204.db2.gz ZTFMFPKYIBGCLG-SFHVURJKSA-N 1 1 322.412 2.093 50 30 DEEAMO Fc1cc(F)cc(NC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000013521087 181857836 /nfs/dbraw/zinc/85/78/36/181857836.db2.gz LTKBUDCRYXMJJF-UHFFFAOYSA-N 1 1 315.389 2.385 50 30 DEEAMO Cc1noc(C)c1C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000042132994 183233823 /nfs/dbraw/zinc/23/38/23/183233823.db2.gz LYUADHIIOJWQIS-HNNXBMFYSA-N 1 1 315.373 2.035 50 30 DEEAMO Cc1noc(C)c1C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000042132994 183233825 /nfs/dbraw/zinc/23/38/25/183233825.db2.gz LYUADHIIOJWQIS-HNNXBMFYSA-N 1 1 315.373 2.035 50 30 DEEAMO C[NH+]1CCN(C(=S)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000056664404 184017199 /nfs/dbraw/zinc/01/71/99/184017199.db2.gz UWDZNHHBBMYPBH-UHFFFAOYSA-N 1 1 314.798 2.413 50 30 DEEAMO N#Cc1c(C[NH+]2CCC(NC(=O)C3CC3)CC2)cn2ccccc12 ZINC000058415850 184115220 /nfs/dbraw/zinc/11/52/20/184115220.db2.gz AEPMBDJJLZBAFC-UHFFFAOYSA-N 1 1 322.412 2.302 50 30 DEEAMO Cc1noc(C)c1C[N@H+]1CC[C@H](CNc2ncccc2C#N)C1 ZINC000065474185 184351538 /nfs/dbraw/zinc/35/15/38/184351538.db2.gz AUMBSUWTZGZFKO-CQSZACIVSA-N 1 1 311.389 2.492 50 30 DEEAMO N#Cc1c(F)cccc1N1CC[NH+](CCc2ccccn2)CC1 ZINC000029856134 401859051 /nfs/dbraw/zinc/85/90/51/401859051.db2.gz HHLJYCYRJBGZBV-UHFFFAOYSA-N 1 1 310.376 2.457 50 30 DEEAMO C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)[N@H+]1CCCC[C@H]1C ZINC000032440976 401878684 /nfs/dbraw/zinc/87/86/84/401878684.db2.gz STQGUWGLXYGXJY-KGLIPLIRSA-N 1 1 321.446 2.099 50 30 DEEAMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000044977877 401953211 /nfs/dbraw/zinc/95/32/11/401953211.db2.gz BMWSQQNNVNNUDT-YJBOKZPZSA-N 1 1 311.385 2.463 50 30 DEEAMO CSCC[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000097048466 402102864 /nfs/dbraw/zinc/10/28/64/402102864.db2.gz OAJAEQVBYHGZSM-OAHLLOKOSA-N 1 1 303.431 2.348 50 30 DEEAMO C[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2[nH]c1=O ZINC000097201425 402116806 /nfs/dbraw/zinc/11/68/06/402116806.db2.gz WNOKIOQFJJNGPD-UHFFFAOYSA-N 1 1 304.353 2.427 50 30 DEEAMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2[nH]c1=O ZINC000097201425 402116808 /nfs/dbraw/zinc/11/68/08/402116808.db2.gz WNOKIOQFJJNGPD-UHFFFAOYSA-N 1 1 304.353 2.427 50 30 DEEAMO C[N@H+](CC#CCC1(O)c2ccccc2-c2ccccc21)CCO ZINC000067319200 402156391 /nfs/dbraw/zinc/15/63/91/402156391.db2.gz ZTIBOAPHLCDONG-UHFFFAOYSA-N 1 1 307.393 2.221 50 30 DEEAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2ccc(C#CCO)s2)C1 ZINC000067771307 402172291 /nfs/dbraw/zinc/17/22/91/402172291.db2.gz JFNFKECAHOCENG-CQSZACIVSA-N 1 1 304.459 2.151 50 30 DEEAMO C#CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N1CCCC1 ZINC000069629324 402235912 /nfs/dbraw/zinc/23/59/12/402235912.db2.gz WDNMJCSCKOEOQE-OAHLLOKOSA-N 1 1 300.402 2.141 50 30 DEEAMO C#CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)N1CCCC1 ZINC000069629324 402235914 /nfs/dbraw/zinc/23/59/14/402235914.db2.gz WDNMJCSCKOEOQE-OAHLLOKOSA-N 1 1 300.402 2.141 50 30 DEEAMO C[C@@H]1CN(c2ccc(C#N)cn2)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069738850 402241829 /nfs/dbraw/zinc/24/18/29/402241829.db2.gz HFWSWSYULWDHEM-QAPCUYQASA-N 1 1 322.412 2.197 50 30 DEEAMO CC[NH+]1CCN(C[C@H](C)CNc2ccc(F)cc2C#N)CC1 ZINC000189447260 402537653 /nfs/dbraw/zinc/53/76/53/402537653.db2.gz ZZHNPOWAGDUXKK-CQSZACIVSA-N 1 1 304.413 2.383 50 30 DEEAMO N#Cc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cn1 ZINC000195539273 402850786 /nfs/dbraw/zinc/85/07/86/402850786.db2.gz RJZSRDZBPSAUAN-MOPGFXCFSA-N 1 1 320.396 2.043 50 30 DEEAMO N#Cc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cn1 ZINC000195539273 402850787 /nfs/dbraw/zinc/85/07/87/402850787.db2.gz RJZSRDZBPSAUAN-MOPGFXCFSA-N 1 1 320.396 2.043 50 30 DEEAMO N#Cc1ccc(N2CC[NH+](Cc3ccsc3)CC2)c(CO)c1 ZINC000874435087 648091018 /nfs/dbraw/zinc/09/10/18/648091018.db2.gz LEISPBFWBOASES-UHFFFAOYSA-N 1 1 313.426 2.434 50 30 DEEAMO N#Cc1ccc(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000244874642 202504089 /nfs/dbraw/zinc/50/40/89/202504089.db2.gz XEVBETRRQJFODC-PKOBYXMFSA-N 1 1 310.445 2.165 50 30 DEEAMO CCn1ccnc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000058264378 184095403 /nfs/dbraw/zinc/09/54/03/184095403.db2.gz HQLHTOFFXLJSIO-UHFFFAOYSA-N 1 1 309.417 2.092 50 30 DEEAMO N#Cc1cccnc1NC[C@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000065531105 184361380 /nfs/dbraw/zinc/36/13/80/184361380.db2.gz MBOSVQPSDKLSQV-QAPCUYQASA-N 1 1 322.412 2.421 50 30 DEEAMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCCC1 ZINC000026463529 401841150 /nfs/dbraw/zinc/84/11/50/401841150.db2.gz VXXFMLJXLHMFGB-UHFFFAOYSA-N 1 1 318.421 2.047 50 30 DEEAMO N#Cc1cccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000030320041 401862838 /nfs/dbraw/zinc/86/28/38/401862838.db2.gz VRCAEVVXNDHCDI-UHFFFAOYSA-N 1 1 305.381 2.346 50 30 DEEAMO COc1nccc(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)c1C#N ZINC000091906792 401999140 /nfs/dbraw/zinc/99/91/40/401999140.db2.gz XLIBYWYTQLQLNP-HUUCEWRRSA-N 1 1 312.417 2.272 50 30 DEEAMO C=CC[N@H+](C)C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067643211 402165929 /nfs/dbraw/zinc/16/59/29/402165929.db2.gz VKWYABVLOKCKCB-IBGZPJMESA-N 1 1 316.445 2.091 50 30 DEEAMO Cc1ccc(C#N)c(N2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)n1 ZINC000106978077 402224385 /nfs/dbraw/zinc/22/43/85/402224385.db2.gz 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DEEAMO C[C@H]1CN(c2ccccc2C#N)C(=O)C[N@@H+]1CCCn1cccc1 ZINC000426495546 405364029 /nfs/dbraw/zinc/36/40/29/405364029.db2.gz ATGBYBCMTOEQNP-INIZCTEOSA-N 1 1 322.412 2.487 50 30 DEEAMO C[C@H]1CN(c2ccccc2C#N)C(=O)C[N@H+]1CCCn1cccc1 ZINC000426495546 405364031 /nfs/dbraw/zinc/36/40/31/405364031.db2.gz ATGBYBCMTOEQNP-INIZCTEOSA-N 1 1 322.412 2.487 50 30 DEEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2ccn(CCO)n2)C1 ZINC000426517558 405366269 /nfs/dbraw/zinc/36/62/69/405366269.db2.gz IYVAKKXGCQMKRB-QGZVFWFLSA-N 1 1 310.401 2.127 50 30 DEEAMO C[N@H+]1CCO[C@@H]2CN(c3cc(C#N)ccc3C(F)(F)F)C[C@H]21 ZINC000253370848 277124477 /nfs/dbraw/zinc/12/44/77/277124477.db2.gz XCGKGLAZVWNBLB-ZIAGYGMSSA-N 1 1 311.307 2.096 50 30 DEEAMO C=CC[NH+](CC=C)C[C@@H](O)COc1ccc(C(C)=O)cc1OC ZINC000040459251 518770832 /nfs/dbraw/zinc/77/08/32/518770832.db2.gz KTTRPKPWYIXUJT-MRXNPFEDSA-N 1 1 319.401 2.312 50 30 DEEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095543 518989175 /nfs/dbraw/zinc/98/91/75/518989175.db2.gz GDSNVLBXOJGIFI-ROUUACIJSA-N 1 1 323.408 2.370 50 30 DEEAMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#CCO)cc2)C[C@H]1N(C)C ZINC000095504830 185375301 /nfs/dbraw/zinc/37/53/01/185375301.db2.gz WODSGRIEHDZBDN-RBUKOAKNSA-N 1 1 300.446 2.048 50 30 DEEAMO CC(C)[C@@H]1C[N@H+](Cc2ccc(C#CCO)cc2)C[C@H]1N(C)C ZINC000095504830 185375300 /nfs/dbraw/zinc/37/53/00/185375300.db2.gz WODSGRIEHDZBDN-RBUKOAKNSA-N 1 1 300.446 2.048 50 30 DEEAMO N#Cc1ccccc1CN1CC[N@@H+](Cc2ccccc2)C[C@@H](O)C1 ZINC000095517739 185376657 /nfs/dbraw/zinc/37/66/57/185376657.db2.gz SDCLPMOOSTWVML-HXUWFJFHSA-N 1 1 321.424 2.237 50 30 DEEAMO N#Cc1ccccc1C[NH+]1CCC(OC(=O)C2=COCC2)CC1 ZINC000095404951 185355321 /nfs/dbraw/zinc/35/53/21/185355321.db2.gz ADMPNVBBIWRHAZ-UHFFFAOYSA-N 1 1 312.369 2.370 50 30 DEEAMO C=C(Cl)C[N@@H+](CC)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000095431535 185363286 /nfs/dbraw/zinc/36/32/86/185363286.db2.gz ABCDERXRONOXEE-UHFFFAOYSA-N 1 1 309.797 2.189 50 30 DEEAMO Cc1nnc(NC[C@H](CC(C)C)[NH+]2CCOCC2)c(C#N)c1C ZINC000024056188 182374689 /nfs/dbraw/zinc/37/46/89/182374689.db2.gz AOTFVLYDTCYOOT-HNNXBMFYSA-N 1 1 317.437 2.124 50 30 DEEAMO N#Cc1cccnc1NC[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000065531102 184360957 /nfs/dbraw/zinc/36/09/57/184360957.db2.gz MBOSVQPSDKLSQV-CRAIPNDOSA-N 1 1 322.412 2.421 50 30 DEEAMO COC(=O)CC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000071908326 401695615 /nfs/dbraw/zinc/69/56/15/401695615.db2.gz PMYSQYQQXZNBQF-MRXNPFEDSA-N 1 1 302.374 2.102 50 30 DEEAMO Cc1nnc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)c(C#N)c1C ZINC000024056190 401829318 /nfs/dbraw/zinc/82/93/18/401829318.db2.gz AOTFVLYDTCYOOT-OAHLLOKOSA-N 1 1 317.437 2.124 50 30 DEEAMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCCOc1ccccc1 ZINC000030426900 401863389 /nfs/dbraw/zinc/86/33/89/401863389.db2.gz ZKUBGQQZRZNPFW-GOSISDBHSA-N 1 1 317.433 2.442 50 30 DEEAMO N#CCc1ccc(OCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000089783461 401963394 /nfs/dbraw/zinc/96/33/94/401963394.db2.gz GNNJDDQSFZRTSR-UHFFFAOYSA-N 1 1 322.412 2.349 50 30 DEEAMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc(F)ccc1C#N ZINC000096490446 402095725 /nfs/dbraw/zinc/09/57/25/402095725.db2.gz DIYSYTQSLMOXHI-UHFFFAOYSA-N 1 1 318.440 2.155 50 30 DEEAMO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(F)ccc1C#N ZINC000096490446 402095727 /nfs/dbraw/zinc/09/57/27/402095727.db2.gz DIYSYTQSLMOXHI-UHFFFAOYSA-N 1 1 318.440 2.155 50 30 DEEAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(C#N)c(C)n1 ZINC000247962189 402579531 /nfs/dbraw/zinc/57/95/31/402579531.db2.gz PDDMAFIOKRPGPI-IAGOWNOFSA-N 1 1 312.417 2.351 50 30 DEEAMO C#CC[C@H](C)OC(=O)c1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC000095456286 185370173 /nfs/dbraw/zinc/37/01/73/185370173.db2.gz ZYZZDNORHKXTLZ-ZDUSSCGKSA-N 1 1 304.365 2.146 50 30 DEEAMO Cc1c(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C)C2)cc(C#N)n1C ZINC000072170021 191068703 /nfs/dbraw/zinc/06/87/03/191068703.db2.gz AVCJWWJSIPUWIL-HNNXBMFYSA-N 1 1 316.449 2.286 50 30 DEEAMO COc1cc(OC)cc(C(=O)ONC(=[NH2+])c2ccccc2)c1 ZINC000005357109 353993210 /nfs/dbraw/zinc/99/32/10/353993210.db2.gz DEGSFXDPNAXMBA-UHFFFAOYSA-N 1 1 300.314 2.181 50 30 DEEAMO C=CC[C@@]1(CO)CCC[N@@H+](Cc2cnc(N3CCCC3)nc2)C1 ZINC000091519407 193067747 /nfs/dbraw/zinc/06/77/47/193067747.db2.gz XQZKHGMHGVLTTB-GOSISDBHSA-N 1 1 316.449 2.227 50 30 DEEAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000010897342 401772411 /nfs/dbraw/zinc/77/24/11/401772411.db2.gz DBGNIPISXIKCRE-OKILXGFUSA-N 1 1 310.401 2.398 50 30 DEEAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000010897342 401772413 /nfs/dbraw/zinc/77/24/13/401772413.db2.gz DBGNIPISXIKCRE-OKILXGFUSA-N 1 1 310.401 2.398 50 30 DEEAMO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000078993176 401869023 /nfs/dbraw/zinc/86/90/23/401869023.db2.gz ZDHRNWFLBGNUCG-UONOGXRCSA-N 1 1 306.431 2.452 50 30 DEEAMO C[C@@H]1C[C@@H](C)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000078993176 401869024 /nfs/dbraw/zinc/86/90/24/401869024.db2.gz ZDHRNWFLBGNUCG-UONOGXRCSA-N 1 1 306.431 2.452 50 30 DEEAMO C=C(C)C[N@H+](CC)[C@H]1CCc2c(c(C(=O)NC)nn2CC)C1 ZINC000014751130 401813189 /nfs/dbraw/zinc/81/31/89/401813189.db2.gz HVSHEUZULUHERB-ZDUSSCGKSA-N 1 1 304.438 2.018 50 30 DEEAMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000091629063 401997303 /nfs/dbraw/zinc/99/73/03/401997303.db2.gz UDTYEUVSORVTAX-ZDUSSCGKSA-N 1 1 311.364 2.371 50 30 DEEAMO C=CC[N@H+](C)C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067804818 402173239 /nfs/dbraw/zinc/17/32/39/402173239.db2.gz MYXHHITUPHVKQX-GOSISDBHSA-N 1 1 308.466 2.428 50 30 DEEAMO CC[C@@H](C#N)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000069455920 402224758 /nfs/dbraw/zinc/22/47/58/402224758.db2.gz VALALNVKOMVTJM-HOCLYGCPSA-N 1 1 303.381 2.456 50 30 DEEAMO N#Cc1cccc(-c2c[nH]c3nc[nH+]c(N4CCOCC4)c23)c1 ZINC000210747484 402278338 /nfs/dbraw/zinc/27/83/38/402278338.db2.gz BHTWDJBVZQBRKP-UHFFFAOYSA-N 1 1 305.341 2.333 50 30 in-vitro DEEAMO C=C(Br)C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000241447075 402443532 /nfs/dbraw/zinc/44/35/32/402443532.db2.gz NQZNDMZPKQGOGP-AAEUAGOBSA-N 1 1 313.239 2.370 50 30 DEEAMO C=C(Br)C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000241447075 402443533 /nfs/dbraw/zinc/44/35/33/402443533.db2.gz NQZNDMZPKQGOGP-AAEUAGOBSA-N 1 1 313.239 2.370 50 30 DEEAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000299790842 403576054 /nfs/dbraw/zinc/57/60/54/403576054.db2.gz BPIMHTARZABWLH-INIZCTEOSA-N 1 1 322.412 2.414 50 30 DEEAMO Cc1nc(C[N@@H+]2CCCN(c3ccnc(C#N)c3)CC2)cs1 ZINC000288000981 403706589 /nfs/dbraw/zinc/70/65/89/403706589.db2.gz SAFVEIQGBJQELK-UHFFFAOYSA-N 1 1 313.430 2.431 50 30 DEEAMO Cc1nc(C[N@H+]2CCCN(c3ccnc(C#N)c3)CC2)cs1 ZINC000288000981 403706592 /nfs/dbraw/zinc/70/65/92/403706592.db2.gz SAFVEIQGBJQELK-UHFFFAOYSA-N 1 1 313.430 2.431 50 30 DEEAMO C=CCOC[C@H](O)C[N@H+](Cc1cc(OC)cc(OC)c1)C1CC1 ZINC000036095123 518994058 /nfs/dbraw/zinc/99/40/58/518994058.db2.gz IUVODIFKVRRUGL-MRXNPFEDSA-N 1 1 321.417 2.232 50 30 DEEAMO COc1ccc(C(=[NH2+])NOC(=O)c2ccccc2F)cc1OC ZINC000008553202 523371573 /nfs/dbraw/zinc/37/15/73/523371573.db2.gz ROBDQKHNQKIDSD-UHFFFAOYSA-N 1 1 318.304 2.320 50 30 DEEAMO CCc1cccc(NC(=[NH2+])NC[C@@H](C)N2CCN(CC)CC2)c1 ZINC000069809611 524071007 /nfs/dbraw/zinc/07/10/07/524071007.db2.gz HBOLBCRFNBHROZ-OAHLLOKOSA-N 1 1 317.481 2.002 50 30 DEEAMO CCc1cccc(NC(=[NH2+])NC[C@H](C)N2CCN(CC)CC2)c1 ZINC000069809612 524071083 /nfs/dbraw/zinc/07/10/83/524071083.db2.gz HBOLBCRFNBHROZ-HNNXBMFYSA-N 1 1 317.481 2.002 50 30 DEEAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000169751684 539613269 /nfs/dbraw/zinc/61/32/69/539613269.db2.gz DIDQUUOOPWDURY-MRXNPFEDSA-N 1 1 324.384 2.167 50 30 DEEAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000169751684 539613274 /nfs/dbraw/zinc/61/32/74/539613274.db2.gz DIDQUUOOPWDURY-MRXNPFEDSA-N 1 1 324.384 2.167 50 30 DEEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)CC ZINC000169678010 355979520 /nfs/dbraw/zinc/97/95/20/355979520.db2.gz LQUAFKDRGQLOFV-DOTOQJQBSA-N 1 1 305.418 2.306 50 30 DEEAMO N#Cc1cccnc1N1CCC[N@@H+](Cc2ccc(F)nc2)CC1 ZINC000170601329 355987733 /nfs/dbraw/zinc/98/77/33/355987733.db2.gz WTVKXGOFOXWLBI-UHFFFAOYSA-N 1 1 311.364 2.200 50 30 DEEAMO N#Cc1cccnc1N1CCC[N@H+](Cc2ccc(F)nc2)CC1 ZINC000170601329 355987736 /nfs/dbraw/zinc/98/77/36/355987736.db2.gz WTVKXGOFOXWLBI-UHFFFAOYSA-N 1 1 311.364 2.200 50 30 DEEAMO Cc1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(Cl)cc1C#N ZINC000292361052 223021359 /nfs/dbraw/zinc/02/13/59/223021359.db2.gz CQUOEZGBAUYYMX-CYBMUJFWSA-N 1 1 320.824 2.074 50 30 DEEAMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016662257 182056469 /nfs/dbraw/zinc/05/64/69/182056469.db2.gz VHNWBUCAXBKHCL-HLLBOEOZSA-N 1 1 305.418 2.264 50 30 DEEAMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016662257 182056470 /nfs/dbraw/zinc/05/64/70/182056470.db2.gz VHNWBUCAXBKHCL-HLLBOEOZSA-N 1 1 305.418 2.264 50 30 DEEAMO C#Cc1ccc(C[NH+]2CCN(Cc3ccccc3CO)CC2)cc1 ZINC000055166304 183968179 /nfs/dbraw/zinc/96/81/79/183968179.db2.gz KAQUBRFDSXMPER-UHFFFAOYSA-N 1 1 320.436 2.478 50 30 DEEAMO C#Cc1ccc(CN2CC[NH+](Cc3ccccc3CO)CC2)cc1 ZINC000055166304 183968180 /nfs/dbraw/zinc/96/81/80/183968180.db2.gz KAQUBRFDSXMPER-UHFFFAOYSA-N 1 1 320.436 2.478 50 30 DEEAMO C=C(C)COc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000065373580 184330503 /nfs/dbraw/zinc/33/05/03/184330503.db2.gz RBNJQJISPJADBJ-CVEARBPZSA-N 1 1 300.402 2.494 50 30 DEEAMO C[N@H+]1CCC[C@H](N2CCN(c3c(Cl)cccc3C#N)CC2)C1 ZINC000096429513 402085503 /nfs/dbraw/zinc/08/55/03/402085503.db2.gz DPCYDSBUOVBDRL-HNNXBMFYSA-N 1 1 318.852 2.428 50 30 DEEAMO C#CCCOc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000097139084 402110387 /nfs/dbraw/zinc/11/03/87/402110387.db2.gz DBFAUPWXTPNVBO-UHFFFAOYSA-N 1 1 301.386 2.428 50 30 DEEAMO C#CCCOc1ccc(C[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000097139084 402110389 /nfs/dbraw/zinc/11/03/89/402110389.db2.gz DBFAUPWXTPNVBO-UHFFFAOYSA-N 1 1 301.386 2.428 50 30 DEEAMO N#Cc1c(C[N@@H+]2CCC[C@@H]2Cn2cncn2)cn2ccccc12 ZINC000069589594 402232750 /nfs/dbraw/zinc/23/27/50/402232750.db2.gz IPGHKAYMFSWZDH-OAHLLOKOSA-N 1 1 306.373 2.067 50 30 DEEAMO N#Cc1c(C[N@H+]2CCC[C@@H]2Cn2cncn2)cn2ccccc12 ZINC000069589594 402232752 /nfs/dbraw/zinc/23/27/52/402232752.db2.gz IPGHKAYMFSWZDH-OAHLLOKOSA-N 1 1 306.373 2.067 50 30 DEEAMO Cc1nnc(C[N@H+](C)CCCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000244795291 402449378 /nfs/dbraw/zinc/44/93/78/402449378.db2.gz RDJWOUJSNDTYAN-UHFFFAOYSA-N 1 1 313.361 2.100 50 30 DEEAMO Cc1nnc(C[N@@H+](C)CCCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000244795291 402449379 /nfs/dbraw/zinc/44/93/79/402449379.db2.gz RDJWOUJSNDTYAN-UHFFFAOYSA-N 1 1 313.361 2.100 50 30 DEEAMO C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000241447076 402443280 /nfs/dbraw/zinc/44/32/80/402443280.db2.gz NQZNDMZPKQGOGP-WCQYABFASA-N 1 1 313.239 2.370 50 30 DEEAMO C=C(Br)C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000241447076 402443282 /nfs/dbraw/zinc/44/32/82/402443282.db2.gz NQZNDMZPKQGOGP-WCQYABFASA-N 1 1 313.239 2.370 50 30 DEEAMO C=CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cccs1 ZINC000041626076 518774938 /nfs/dbraw/zinc/77/49/38/518774938.db2.gz GHOCSNOSQGTMNK-UHFFFAOYSA-N 1 1 321.446 2.457 50 30 DEEAMO C=CCOC[C@H](O)C[N@H+](CCCOC)Cc1cccc(C)c1 ZINC000036100533 518990975 /nfs/dbraw/zinc/99/09/75/518990975.db2.gz SALLGYKWJZIAQV-GOSISDBHSA-N 1 1 307.434 2.397 50 30 DEEAMO N#CCSCCC[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000080631071 526476974 /nfs/dbraw/zinc/47/69/74/526476974.db2.gz OSWAVADPWISZBG-UHFFFAOYSA-N 1 1 321.421 2.230 50 30 DEEAMO C=CCn1c(CN)nnc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426515816 636339737 /nfs/dbraw/zinc/33/97/37/636339737.db2.gz YXOGZACJIOMHOR-UONOGXRCSA-N 1 1 321.494 2.279 50 30 DEEAMO C=CCn1c(CN)nnc1SC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000426515816 636339739 /nfs/dbraw/zinc/33/97/39/636339739.db2.gz YXOGZACJIOMHOR-UONOGXRCSA-N 1 1 321.494 2.279 50 30 DEEAMO C#CCCC1(CCC(=O)NC[C@H](c2ccco2)[NH+](C)C)N=N1 ZINC000952880536 792794612 /nfs/dbraw/zinc/79/46/12/792794612.db2.gz GNROEYWCGBBUPR-CYBMUJFWSA-N 1 1 302.378 2.354 50 30 DEEAMO N#Cc1cccnc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018061610 182091496 /nfs/dbraw/zinc/09/14/96/182091496.db2.gz JTAVMIXDJHOVFN-UHFFFAOYSA-N 1 1 308.385 2.398 50 30 DEEAMO CC(C)Cc1cc(-c2c(C#N)c(N)nc3c2C[N@@H+](C)CC3)n[nH]1 ZINC000072151115 401703436 /nfs/dbraw/zinc/70/34/36/401703436.db2.gz YZBHSKDTHKSQDW-UHFFFAOYSA-N 1 1 310.405 2.112 50 30 DEEAMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000029225130 401855140 /nfs/dbraw/zinc/85/51/40/401855140.db2.gz IZWSYXPEJDEBMJ-UHFFFAOYSA-N 1 1 323.400 2.183 50 30 DEEAMO N#Cc1cccc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000030903517 401867345 /nfs/dbraw/zinc/86/73/45/401867345.db2.gz PMWPWMBZQPIJBK-HXUWFJFHSA-N 1 1 321.424 2.067 50 30 DEEAMO N#Cc1cccc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000030903517 401867347 /nfs/dbraw/zinc/86/73/47/401867347.db2.gz PMWPWMBZQPIJBK-HXUWFJFHSA-N 1 1 321.424 2.067 50 30 DEEAMO N#Cc1ccc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000048711458 402006826 /nfs/dbraw/zinc/00/68/26/402006826.db2.gz OJWSTQMTMFEPMG-HXUWFJFHSA-N 1 1 321.424 2.067 50 30 DEEAMO N#Cc1ccc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000048711458 402006828 /nfs/dbraw/zinc/00/68/28/402006828.db2.gz OJWSTQMTMFEPMG-HXUWFJFHSA-N 1 1 321.424 2.067 50 30 DEEAMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)CCC#N)C12CCCC2 ZINC000096419746 402082224 /nfs/dbraw/zinc/08/22/24/402082224.db2.gz METGOMVMJZDURX-CABCVRRESA-N 1 1 307.438 2.028 50 30 DEEAMO Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)C[C@H](C)C#N)c2cc1C ZINC000106574193 402214868 /nfs/dbraw/zinc/21/48/68/402214868.db2.gz KITHJYFRUZBWCM-DOMZBBRYSA-N 1 1 300.406 2.106 50 30 DEEAMO Cc1cc2ncn(C[C@@H](O)C[N@H+](C)C[C@H](C)C#N)c2cc1C ZINC000106574193 402214870 /nfs/dbraw/zinc/21/48/70/402214870.db2.gz KITHJYFRUZBWCM-DOMZBBRYSA-N 1 1 300.406 2.106 50 30 DEEAMO N#Cc1ccc(N2CC[NH+](CCc3ccncc3)CC2)c(F)c1 ZINC000069453647 402224688 /nfs/dbraw/zinc/22/46/88/402224688.db2.gz WAWUECJTXQEBJV-UHFFFAOYSA-N 1 1 310.376 2.457 50 30 DEEAMO CC[C@H](C#N)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000069455918 402224821 /nfs/dbraw/zinc/22/48/21/402224821.db2.gz VALALNVKOMVTJM-GDBMZVCRSA-N 1 1 303.381 2.456 50 30 DEEAMO C[C@@H]1C[N@@H+](CCCC(=O)Nc2ccc(C#N)cc2)CCCO1 ZINC000243893752 402446480 /nfs/dbraw/zinc/44/64/80/402446480.db2.gz ATTCESDDHGLAPQ-CQSZACIVSA-N 1 1 301.390 2.388 50 30 DEEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CCCO1 ZINC000245326122 402453442 /nfs/dbraw/zinc/45/34/42/402453442.db2.gz DFTFQIMCPQICJV-IAGOWNOFSA-N 1 1 323.408 2.370 50 30 DEEAMO CC[NH+]1CCN(C[C@H](C)CNc2ccc(C#N)cc2F)CC1 ZINC000189445785 402537690 /nfs/dbraw/zinc/53/76/90/402537690.db2.gz BTULBGTYXWWIRO-CQSZACIVSA-N 1 1 304.413 2.383 50 30 DEEAMO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)C[C@H](C)N1CC#N ZINC000585115953 405870274 /nfs/dbraw/zinc/87/02/74/405870274.db2.gz BBTMGBQWKRERNA-OKILXGFUSA-N 1 1 318.396 2.072 50 30 DEEAMO C=CCS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000067675409 519076242 /nfs/dbraw/zinc/07/62/42/519076242.db2.gz YAYOUFJJNVBYQU-KRWDZBQOSA-N 1 1 322.474 2.231 50 30 DEEAMO COc1ccccc1CC(=[NH2+])NOC(=O)c1ccccc1OC ZINC000018276876 524366780 /nfs/dbraw/zinc/36/67/80/524366780.db2.gz KDTXUDXDDYCXKN-UHFFFAOYSA-N 1 1 314.341 2.376 50 30 biogenic DEEAMO C=CCn1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c1C ZINC000820505274 1090550501 /nfs/dbraw/zinc/55/05/01/1090550501.db2.gz LCOPYESHRKBDGO-CQSZACIVSA-N 1 1 313.405 2.253 50 30 DEEAMO CCCNc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000089960219 185272065 /nfs/dbraw/zinc/27/20/65/185272065.db2.gz WVEUOUIERWQWPG-MRXNPFEDSA-N 1 1 316.405 2.039 50 30 DEEAMO CCCNc1ccc(C#N)cc1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000089960219 185272066 /nfs/dbraw/zinc/27/20/66/185272066.db2.gz WVEUOUIERWQWPG-MRXNPFEDSA-N 1 1 316.405 2.039 50 30 DEEAMO C=CC[N@@H+]1CCCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000072252709 191086952 /nfs/dbraw/zinc/08/69/52/191086952.db2.gz ZJKQJHRPFGQELC-UHFFFAOYSA-N 1 1 304.390 2.038 50 30 DEEAMO Cc1nnc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000024055801 182374109 /nfs/dbraw/zinc/37/41/09/182374109.db2.gz QIZZWEAMFWZZHJ-TXEJJXNPSA-N 1 1 317.437 2.265 50 30 DEEAMO Cc1nnc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C ZINC000024055801 182374112 /nfs/dbraw/zinc/37/41/12/182374112.db2.gz QIZZWEAMFWZZHJ-TXEJJXNPSA-N 1 1 317.437 2.265 50 30 DEEAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](CNc2ncccc2C#N)C1 ZINC000065474187 184351307 /nfs/dbraw/zinc/35/13/07/184351307.db2.gz AUMBSUWTZGZFKO-AWEZNQCLSA-N 1 1 311.389 2.492 50 30 DEEAMO N#Cc1cccc(OCC[N@H+]2CCCC[C@H]2Cn2cncn2)c1 ZINC000071876403 401690744 /nfs/dbraw/zinc/69/07/44/401690744.db2.gz ADJQARSCDMRQHO-INIZCTEOSA-N 1 1 311.389 2.083 50 30 DEEAMO C=CCNC(=O)C[N@H+](C)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666670 401711546 /nfs/dbraw/zinc/71/15/46/401711546.db2.gz OBNSAUCDPIFUCT-UHFFFAOYSA-N 1 1 305.397 2.029 50 30 DEEAMO C=CCNc1ccc(C(=O)NCC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000015070348 401815697 /nfs/dbraw/zinc/81/56/97/401815697.db2.gz CRIAKINDFOGEBF-HNNXBMFYSA-N 1 1 302.422 2.284 50 30 DEEAMO Cc1ccc(N2CCC[N@H+](CC#Cc3ccc(F)cc3)CC2)nn1 ZINC000095431201 402033495 /nfs/dbraw/zinc/03/34/95/402033495.db2.gz FWBMWFXISVUILF-UHFFFAOYSA-N 1 1 324.403 2.488 50 30 DEEAMO Cc1ccc(N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)nn1 ZINC000095431201 402033498 /nfs/dbraw/zinc/03/34/98/402033498.db2.gz FWBMWFXISVUILF-UHFFFAOYSA-N 1 1 324.403 2.488 50 30 DEEAMO Cc1ncsc1C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000096489675 402096024 /nfs/dbraw/zinc/09/60/24/402096024.db2.gz CUZOHDARVQUIQK-UHFFFAOYSA-N 1 1 313.430 2.431 50 30 DEEAMO CC[N@@H+](CCC(=O)N(CC#N)CC#N)[C@@H](C)c1ccc(F)cc1 ZINC000058342397 402100388 /nfs/dbraw/zinc/10/03/88/402100388.db2.gz MNEMLJMIBRXUQH-AWEZNQCLSA-N 1 1 316.380 2.474 50 30 DEEAMO C=CCN1C(=O)C[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)C1=O ZINC000101130619 402143811 /nfs/dbraw/zinc/14/38/11/402143811.db2.gz MCUDDCGGMQZHCZ-MRXNPFEDSA-N 1 1 313.401 2.402 50 30 DEEAMO C[C@H]1CN(c2ccc(C#N)cn2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229336694 402342064 /nfs/dbraw/zinc/34/20/64/402342064.db2.gz HFWSWSYULWDHEM-MAUKXSAKSA-N 1 1 322.412 2.197 50 30 DEEAMO NC(=[NH2+])NN=Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000254571133 402671156 /nfs/dbraw/zinc/67/11/56/402671156.db2.gz RCXPUJWOBYOJJW-UHFFFAOYSA-N 1 1 310.386 2.418 50 30 DEEAMO COc1ccc(-c2c(C#N)c(N)nc3c2C[N@@H+](C)CC3)cc1OC ZINC000018222891 274103484 /nfs/dbraw/zinc/10/34/84/274103484.db2.gz ISZGXSVHELKOIV-UHFFFAOYSA-N 1 1 324.384 2.208 50 30 DEEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)[C@H](C)CC ZINC000036102261 518303857 /nfs/dbraw/zinc/30/38/57/518303857.db2.gz LQUAFKDRGQLOFV-WBVHZDCISA-N 1 1 305.418 2.306 50 30 DEEAMO C=CCOC[C@@H](O)C[N@H+](CCCOC)Cc1ccccc1F ZINC000036096282 518984791 /nfs/dbraw/zinc/98/47/91/518984791.db2.gz LTDHRBZEYPSMRE-INIZCTEOSA-N 1 1 311.397 2.228 50 30 DEEAMO CC[N@H+](CC#C[C@@](O)(c1ccccc1)C1CCCC1)CCO ZINC000067319138 520297647 /nfs/dbraw/zinc/29/76/47/520297647.db2.gz WTJOTEHMBAIEPN-LJQANCHMSA-N 1 1 301.430 2.382 50 30 DEEAMO C#CCCC1(CCC(=O)N2CCC3(CCC[N@@H+]3C)CC2)N=N1 ZINC000952880199 792794654 /nfs/dbraw/zinc/79/46/54/792794654.db2.gz JMZRTWRMNRASPO-UHFFFAOYSA-N 1 1 302.422 2.429 50 30 DEEAMO C#CCCC1(CCC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)N=N1 ZINC000952881149 792796029 /nfs/dbraw/zinc/79/60/29/792796029.db2.gz LAJWLGLGLACNLF-GJZGRUSLSA-N 1 1 302.422 2.475 50 30 DEEAMO C=CC[NH+]1CCN(Cc2ccc(OC(C)C)c(CO)c2)CC1 ZINC000820478078 1090548371 /nfs/dbraw/zinc/54/83/71/1090548371.db2.gz QSRQUDFUJWOJKB-UHFFFAOYSA-N 1 1 304.434 2.270 50 30 DEEAMO [NH2+]=C(Cc1cccc2ccccc21)NOC(=O)N1CCOCC1 ZINC000004318484 181097364 /nfs/dbraw/zinc/09/73/64/181097364.db2.gz ONVRFFJRASWLTG-UHFFFAOYSA-N 1 1 313.357 2.123 50 30 DEEAMO Cc1cc(C#N)c(NCCC[N@H+]2CCC[C@@H](CO)C2)nc1C ZINC000670455252 540936435 /nfs/dbraw/zinc/93/64/35/540936435.db2.gz RLIZPSLYIQQAGB-OAHLLOKOSA-N 1 1 302.422 2.076 50 30 DEEAMO COCCn1cc[nH+]c1[C@H]1CCCN(c2cccc(C#N)n2)C1 ZINC000091462337 193059249 /nfs/dbraw/zinc/05/92/49/193059249.db2.gz JZPZAQIPARDRSR-AWEZNQCLSA-N 1 1 311.389 2.180 50 30 DEEAMO CC(C)n1cc(C#N)c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000093092472 193203564 /nfs/dbraw/zinc/20/35/64/193203564.db2.gz TYFWFOQHCYAQQP-TZMCWYRMSA-N 1 1 316.409 2.036 50 30 DEEAMO O=C(C[N@@H+]1CCc2ccccc2C1)NCC#Cc1ccccc1 ZINC000042242091 183246222 /nfs/dbraw/zinc/24/62/22/183246222.db2.gz QELUOVRPWSEWFW-UHFFFAOYSA-N 1 1 304.393 2.213 50 30 DEEAMO O=C(C[N@H+]1CCc2ccccc2C1)NCC#Cc1ccccc1 ZINC000042242091 183246225 /nfs/dbraw/zinc/24/62/25/183246225.db2.gz QELUOVRPWSEWFW-UHFFFAOYSA-N 1 1 304.393 2.213 50 30 DEEAMO N#Cc1ccc(CSCC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000058179468 184084789 /nfs/dbraw/zinc/08/47/89/184084789.db2.gz BPSSVSUBAUYOIS-OAHLLOKOSA-N 1 1 315.442 2.144 50 30 DEEAMO C=CC[C@@H]1C=CC[C@@H](CC=C)N1C(=O)CN1CCC[N@H+](C)CC1 ZINC000065395550 184335221 /nfs/dbraw/zinc/33/52/21/184335221.db2.gz MTVFIIXIVCDYIJ-QZTJIDSGSA-N 1 1 317.477 2.302 50 30 DEEAMO Cc1noc(C)c1C[N@H+]1CC[C@H](CNc2ccc(C#N)cn2)C1 ZINC000065512243 184357606 /nfs/dbraw/zinc/35/76/06/184357606.db2.gz AHRJAVQYGDOKHQ-OAHLLOKOSA-N 1 1 311.389 2.492 50 30 DEEAMO COc1ccc(C(=O)ONC(=[NH2+])Cc2cccs2)cc1OC ZINC000004193299 401725325 /nfs/dbraw/zinc/72/53/25/401725325.db2.gz MXVWIOVKTCDWPA-UHFFFAOYSA-N 1 1 320.370 2.437 50 30 DEEAMO C[N@H+](CC#CCC(O)(c1ccccc1)c1ccccc1)CCO ZINC000006546299 401731636 /nfs/dbraw/zinc/73/16/36/401731636.db2.gz PBFHUYOPSYOOOF-UHFFFAOYSA-N 1 1 309.409 2.240 50 30 DEEAMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000075108149 401749520 /nfs/dbraw/zinc/74/95/20/401749520.db2.gz ZIPDLWIQAXBIGL-LSDHHAIUSA-N 1 1 320.462 2.002 50 30 DEEAMO COc1ccc(C(=[NH2+])NOC(=O)Cc2ccccc2)cc1OC ZINC000012655429 401789772 /nfs/dbraw/zinc/78/97/72/401789772.db2.gz PTSNCXROAVBNBN-UHFFFAOYSA-N 1 1 314.341 2.110 50 30 DEEAMO N#Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)nc1 ZINC000040480189 401925202 /nfs/dbraw/zinc/92/52/02/401925202.db2.gz DCJHPRXZFUKZJK-UHFFFAOYSA-N 1 1 320.396 2.210 50 30 DEEAMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc(Cl)c2C#N)C[C@H](C)O1 ZINC000095974939 402039849 /nfs/dbraw/zinc/03/98/49/402039849.db2.gz MEOMGCSOTHHKJU-XQQFMLRXSA-N 1 1 324.808 2.061 50 30 DEEAMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc(Cl)c2C#N)C[C@H](C)O1 ZINC000095974939 402039851 /nfs/dbraw/zinc/03/98/51/402039851.db2.gz MEOMGCSOTHHKJU-XQQFMLRXSA-N 1 1 324.808 2.061 50 30 DEEAMO C#CCN1CC[NH+](C[C@@H]2CO[C@H](c3ccc(Cl)cc3)O2)CC1 ZINC000095992676 402044352 /nfs/dbraw/zinc/04/43/52/402044352.db2.gz QDRYXSBMYYDPNT-SJORKVTESA-N 1 1 320.820 2.005 50 30 DEEAMO C#CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCc2ccccc21 ZINC000106111494 402212571 /nfs/dbraw/zinc/21/25/71/402212571.db2.gz PGLLYIKCIBVCID-AZUAARDMSA-N 1 1 321.424 2.418 50 30 DEEAMO C#CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCc2ccccc21 ZINC000106111494 402212574 /nfs/dbraw/zinc/21/25/74/402212574.db2.gz PGLLYIKCIBVCID-AZUAARDMSA-N 1 1 321.424 2.418 50 30 DEEAMO C=CCn1cc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@@H+]2C)cn1 ZINC000071750046 402276342 /nfs/dbraw/zinc/27/63/42/402276342.db2.gz OJNXJICSRWMWEB-SWLSCSKDSA-N 1 1 320.400 2.276 50 30 DEEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426517557 405365846 /nfs/dbraw/zinc/36/58/46/405365846.db2.gz IYVAKKXGCQMKRB-KRWDZBQOSA-N 1 1 310.401 2.127 50 30 DEEAMO C#CCNC(=O)C[N@@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000032825404 518274720 /nfs/dbraw/zinc/27/47/20/518274720.db2.gz NAUISEZSEARHKY-UHFFFAOYSA-N 1 1 321.218 2.163 50 30 DEEAMO C#CCNC(=O)C[N@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000032825404 518274726 /nfs/dbraw/zinc/27/47/26/518274726.db2.gz NAUISEZSEARHKY-UHFFFAOYSA-N 1 1 321.218 2.163 50 30 DEEAMO Cc1cc2ncn(C[C@H](O)C[N@@H+](C)C[C@@H](C)C#N)c2cc1C ZINC000065462351 525686593 /nfs/dbraw/zinc/68/65/93/525686593.db2.gz KITHJYFRUZBWCM-SWLSCSKDSA-N 1 1 300.406 2.106 50 30 DEEAMO Cc1cc2ncn(C[C@H](O)C[N@H+](C)C[C@@H](C)C#N)c2cc1C ZINC000065462351 525686600 /nfs/dbraw/zinc/68/66/00/525686600.db2.gz KITHJYFRUZBWCM-SWLSCSKDSA-N 1 1 300.406 2.106 50 30 DEEAMO C=CC[N@H+]1CC[C@@H](CNC(=O)CCn2cnc3ccccc32)C1 ZINC000952961074 792806181 /nfs/dbraw/zinc/80/61/81/792806181.db2.gz HAQXWVMICRIZOR-HNNXBMFYSA-N 1 1 312.417 2.051 50 30 DEEAMO C[N@@H+]1CC[C@](C)(CNCc2ccc(C#CC(C)(C)O)s2)C1 ZINC000952965439 792813063 /nfs/dbraw/zinc/81/30/63/792813063.db2.gz DKSMHKJCBKCXTK-QGZVFWFLSA-N 1 1 306.475 2.302 50 30 DEEAMO C[N@H+]1CC[C@](C)(CNCc2ccc(C#CC(C)(C)O)s2)C1 ZINC000952965439 792813072 /nfs/dbraw/zinc/81/30/72/792813072.db2.gz DKSMHKJCBKCXTK-QGZVFWFLSA-N 1 1 306.475 2.302 50 30 DEEAMO CN1CC[C@](C)(C[NH2+]Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000952965439 792813090 /nfs/dbraw/zinc/81/30/90/792813090.db2.gz DKSMHKJCBKCXTK-QGZVFWFLSA-N 1 1 306.475 2.302 50 30 DEEAMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2ccnc(N)c2)CC1 ZINC000225616434 186283710 /nfs/dbraw/zinc/28/37/10/186283710.db2.gz AXOAHTSATHDREI-HNNXBMFYSA-N 1 1 321.428 2.414 50 30 DEEAMO CC12CN3CC(C[N@@H+](C1)CC3)C2=NN=Cc1ccc(Cl)cc1 ZINC000000993544 353990612 /nfs/dbraw/zinc/99/06/12/353990612.db2.gz FNCVLORTOQACTM-UHFFFAOYSA-N 1 1 316.836 2.382 50 30 DEEAMO CC[NH+]1CCN(c2oc(-c3ccc(F)cc3)nc2C#N)CC1 ZINC000004981297 181183803 /nfs/dbraw/zinc/18/38/03/181183803.db2.gz MRLFCTHOGLWXQV-UHFFFAOYSA-N 1 1 300.337 2.494 50 30 DEEAMO Cc1noc([C@]23CCC[C@H]2C[N@@H+](Cc2ccncc2C#N)C3)n1 ZINC000685940592 542768702 /nfs/dbraw/zinc/76/87/02/542768702.db2.gz DGIJCVDLNDUZEN-RDJZCZTQSA-N 1 1 309.373 2.198 50 30 DEEAMO Cc1noc([C@]23CCC[C@H]2C[N@H+](Cc2ccncc2C#N)C3)n1 ZINC000685940592 542768696 /nfs/dbraw/zinc/76/86/96/542768696.db2.gz DGIJCVDLNDUZEN-RDJZCZTQSA-N 1 1 309.373 2.198 50 30 DEEAMO COc1cc(C#N)c(NC(=O)C[NH+]2CCC(C)CC2)cc1OC ZINC000004625491 401726683 /nfs/dbraw/zinc/72/66/83/401726683.db2.gz XXQUXFMOEVYORY-UHFFFAOYSA-N 1 1 317.389 2.246 50 30 DEEAMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000075108144 401749172 /nfs/dbraw/zinc/74/91/72/401749172.db2.gz ZIPDLWIQAXBIGL-HUUCEWRRSA-N 1 1 320.462 2.002 50 30 DEEAMO CS[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000033226783 401889458 /nfs/dbraw/zinc/88/94/58/401889458.db2.gz QRYBQQJSYKWOAM-CQSZACIVSA-N 1 1 317.458 2.344 50 30 DEEAMO CS[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000033226783 401889461 /nfs/dbraw/zinc/88/94/61/401889461.db2.gz QRYBQQJSYKWOAM-CQSZACIVSA-N 1 1 317.458 2.344 50 30 DEEAMO C[C@@](C#N)(NC(=O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)C1CC1 ZINC000089368577 401943307 /nfs/dbraw/zinc/94/33/07/401943307.db2.gz ONLLNZBSUUKRFP-WMZOPIPTSA-N 1 1 319.449 2.218 50 30 DEEAMO CCN1CCN(C2CC[NH+](Cc3ccccc3C#N)CC2)C1=O ZINC000069815257 402245746 /nfs/dbraw/zinc/24/57/46/402245746.db2.gz SOAHZFIHJBNVAG-UHFFFAOYSA-N 1 1 312.417 2.280 50 30 DEEAMO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(C#N)ccc2F)CC1 ZINC000069974078 402253502 /nfs/dbraw/zinc/25/35/02/402253502.db2.gz FZEVYCHTADTXPM-CQSZACIVSA-N 1 1 319.424 2.222 50 30 DEEAMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000071793320 402277965 /nfs/dbraw/zinc/27/79/65/402277965.db2.gz UNAJYCKWVVYZLT-OAHLLOKOSA-N 1 1 314.410 2.418 50 30 DEEAMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)CC#N)C1 ZINC000075503991 279063826 /nfs/dbraw/zinc/06/38/26/279063826.db2.gz DPDCZUBSIBLIQW-NWDGAFQWSA-N 1 1 305.344 2.411 50 30 DEEAMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+]([C@@H](C)CC#N)C1 ZINC000075503991 279063829 /nfs/dbraw/zinc/06/38/29/279063829.db2.gz DPDCZUBSIBLIQW-NWDGAFQWSA-N 1 1 305.344 2.411 50 30 DEEAMO C=CCOC[C@@H](O)C[N@H+](CCOC)Cc1cc(C)ccc1C ZINC000036097365 518985696 /nfs/dbraw/zinc/98/56/96/518985696.db2.gz NCYYBEGYROOPJZ-SFHVURJKSA-N 1 1 307.434 2.315 50 30 DEEAMO COc1ccc(OCC(=O)ONC(=[NH2+])c2cccc(C)c2)cc1 ZINC000004685146 524937585 /nfs/dbraw/zinc/93/75/85/524937585.db2.gz RKAMJWSKIWDVKM-UHFFFAOYSA-N 1 1 314.341 2.246 50 30 DEEAMO C[N@H+]1C[C@H](NC(=O)CC2OCCCO2)[C@H](c2ccccc2)C1 ZINC000328586434 563929761 /nfs/dbraw/zinc/92/97/61/563929761.db2.gz UHNQUZIROVVUEG-GJZGRUSLSA-N 1 1 304.390 2.194 50 30 DEEAMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]ccc3C(N)=O)C2)c1 ZINC000169789281 355983946 /nfs/dbraw/zinc/98/39/46/355983946.db2.gz WRPGEEVYZVHMAS-OAHLLOKOSA-N 1 1 308.385 2.365 50 30 DEEAMO CC(C)c1ccc(C#N)c(NCCC[N@H+]2CCC[C@@H](O)C2)n1 ZINC000670437750 540933289 /nfs/dbraw/zinc/93/32/89/540933289.db2.gz BEPAATJIZZJDGR-OAHLLOKOSA-N 1 1 302.422 2.335 50 30 DEEAMO C=CC[C@@]1(CO)CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000091536497 193071099 /nfs/dbraw/zinc/07/10/99/193071099.db2.gz ATYZCKRMQGMVRA-GOSISDBHSA-N 1 1 305.418 2.208 50 30 DEEAMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1c1cccnn1 ZINC000071859966 401688846 /nfs/dbraw/zinc/68/88/46/401688846.db2.gz ULKARYPHFRBQLT-KRWDZBQOSA-N 1 1 307.401 2.449 50 30 DEEAMO N#Cc1cccnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000012567531 401788314 /nfs/dbraw/zinc/78/83/14/401788314.db2.gz WOIQLLZJVUOOMP-UHFFFAOYSA-N 1 1 308.385 2.154 50 30 DEEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248383014 402588625 /nfs/dbraw/zinc/58/86/25/402588625.db2.gz YXFPHKVQJWOYKO-HOCLYGCPSA-N 1 1 313.401 2.022 50 30 DEEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248383014 402588627 /nfs/dbraw/zinc/58/86/27/402588627.db2.gz YXFPHKVQJWOYKO-HOCLYGCPSA-N 1 1 313.401 2.022 50 30 DEEAMO Cc1[nH+]ccn1CC1(CNC(=O)Nc2ccc(C#N)nc2)CC1 ZINC000299759070 403566766 /nfs/dbraw/zinc/56/67/66/403566766.db2.gz NBSHFOGLEHZNRU-UHFFFAOYSA-N 1 1 310.361 2.060 50 30 DEEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccsc1)Cc1ccco1 ZINC000036099348 518304957 /nfs/dbraw/zinc/30/49/57/518304957.db2.gz LPXKMPGAGXEJKJ-HNNXBMFYSA-N 1 1 305.399 2.354 50 30 DEEAMO C#CCOC[C@@H](O)C[N@H+](Cc1ccsc1)Cc1ccco1 ZINC000036099348 518304962 /nfs/dbraw/zinc/30/49/62/518304962.db2.gz LPXKMPGAGXEJKJ-HNNXBMFYSA-N 1 1 305.399 2.354 50 30 DEEAMO C=CCOC[C@@H](O)C[N@H+](CCC)Cc1ccc(OC)c(OC)c1 ZINC000036095980 518984501 /nfs/dbraw/zinc/98/45/01/518984501.db2.gz DSQGRSCGFMFGCQ-INIZCTEOSA-N 1 1 323.433 2.479 50 30 DEEAMO Cc1ccn2cc(C[NH2+]Cc3cc(C#CCO)cs3)nc2c1 ZINC000952860255 792782753 /nfs/dbraw/zinc/78/27/53/792782753.db2.gz JQTFKXXNHPWTPX-UHFFFAOYSA-N 1 1 311.410 2.338 50 30 DEEAMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3c(c(C(N)=O)nn3C)C2)CC1 ZINC000820537601 1090551722 /nfs/dbraw/zinc/55/17/22/1090551722.db2.gz APICKSXDEPAQGM-CQSZACIVSA-N 1 1 314.433 2.180 50 30 DEEAMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3c(c(C(N)=O)nn3C)C2)CC1 ZINC000820537601 1090551726 /nfs/dbraw/zinc/55/17/26/1090551726.db2.gz APICKSXDEPAQGM-CQSZACIVSA-N 1 1 314.433 2.180 50 30 DEEAMO C#CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C)c1nccs1 ZINC000090632710 539417422 /nfs/dbraw/zinc/41/74/22/539417422.db2.gz DDUMMEFELVTRJL-UHFFFAOYSA-N 1 1 323.381 2.312 50 30 DEEAMO CCOc1ccc(-c2nc(C#N)c(N3CC[NH+](C)CC3)o2)cc1 ZINC000004223025 181085964 /nfs/dbraw/zinc/08/59/64/181085964.db2.gz OYAJGXDSVFXBGY-UHFFFAOYSA-N 1 1 312.373 2.364 50 30 DEEAMO CC(C)CC[N@H+]1CCN(CC#Cc2ccccc2)C[C@@H]1CCO ZINC000022932863 182342132 /nfs/dbraw/zinc/34/21/32/182342132.db2.gz VAILMVMBKFXHKF-FQEVSTJZSA-N 1 1 314.473 2.453 50 30 DEEAMO N#Cc1ccccc1OCC[NH+]1CCN(c2nccs2)CC1 ZINC000043117064 183339383 /nfs/dbraw/zinc/33/93/83/183339383.db2.gz ZJPGVDSWKKRXHB-UHFFFAOYSA-N 1 1 314.414 2.216 50 30 DEEAMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cc(C#N)ccc1F ZINC000076086849 401781944 /nfs/dbraw/zinc/78/19/44/401781944.db2.gz SFIHMRMUIGUAEM-HNNXBMFYSA-N 1 1 318.396 2.371 50 30 DEEAMO COC(=O)CC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCOCC1 ZINC000095965458 402037642 /nfs/dbraw/zinc/03/76/42/402037642.db2.gz FNVPVURMEWJQNX-UHFFFAOYSA-N 1 1 320.364 2.241 50 30 DEEAMO COC(=O)CC[N@@H+](Cc1cc(F)ccc1C#N)C1CCOCC1 ZINC000095965744 402038116 /nfs/dbraw/zinc/03/81/16/402038116.db2.gz NAKAHWIOUUJNLH-UHFFFAOYSA-N 1 1 320.364 2.241 50 30 DEEAMO C=C(Br)C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125355932 402227514 /nfs/dbraw/zinc/22/75/14/402227514.db2.gz NQZNDMZPKQGOGP-DGCLKSJQSA-N 1 1 313.239 2.370 50 30 DEEAMO C=C(Br)C[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000125355932 402227515 /nfs/dbraw/zinc/22/75/15/402227515.db2.gz NQZNDMZPKQGOGP-DGCLKSJQSA-N 1 1 313.239 2.370 50 30 DEEAMO CN(C)C=[NH+]c1c(C#N)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000254508228 402670600 /nfs/dbraw/zinc/67/06/00/402670600.db2.gz GSKUWWZMGOHHIV-UHFFFAOYSA-N 1 1 308.267 2.379 50 30 DEEAMO Cn1cc[nH+]c1N1CCC(NC(=O)Cc2cncs2)CC1 ZINC000328779393 404150501 /nfs/dbraw/zinc/15/05/01/404150501.db2.gz UCJOPXUKYSSKQM-UHFFFAOYSA-N 1 1 305.407 2.045 50 30 DEEAMO C[C@@H]1C[NH+](C[C@@H](O)COc2cccc(Cl)c2C#N)C[C@@H](C)O1 ZINC000108361775 424851103 /nfs/dbraw/zinc/85/11/03/424851103.db2.gz MEOMGCSOTHHKJU-JHJVBQTASA-N 1 1 324.808 2.061 50 30 DEEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)CC ZINC000036102263 518302415 /nfs/dbraw/zinc/30/24/15/518302415.db2.gz LQUAFKDRGQLOFV-RDJZCZTQSA-N 1 1 305.418 2.306 50 30 DEEAMO C=CCOC[C@H](O)C[N@H+](Cc1cc(OC)cc(OC)c1)C(C)C ZINC000036095081 518993363 /nfs/dbraw/zinc/99/33/63/518993363.db2.gz CBTUVHKZYDMQBS-MRXNPFEDSA-N 1 1 323.433 2.478 50 30 DEEAMO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCc2ccccc2C1 ZINC000079311743 522497797 /nfs/dbraw/zinc/49/77/97/522497797.db2.gz IRIVYHWEEZUTSY-IEBWSBKVSA-N 1 1 311.429 2.284 50 30 DEEAMO CSC[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083207588 185219273 /nfs/dbraw/zinc/21/92/73/185219273.db2.gz PFFKPUXKEPRSEO-DGCLKSJQSA-N 1 1 321.471 2.410 50 30 DEEAMO CSC[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000083207588 185219274 /nfs/dbraw/zinc/21/92/74/185219274.db2.gz PFFKPUXKEPRSEO-DGCLKSJQSA-N 1 1 321.471 2.410 50 30 DEEAMO CC(C)[N@H+]1CCCC[C@H]1C(=O)Nc1ccn(CCCC#N)n1 ZINC000095404324 185355369 /nfs/dbraw/zinc/35/53/69/185355369.db2.gz LJOXNEWQHRGMBC-AWEZNQCLSA-N 1 1 303.410 2.388 50 30 DEEAMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000023451086 182361505 /nfs/dbraw/zinc/36/15/05/182361505.db2.gz OISKMPXMIDFEML-UHFFFAOYSA-N 1 1 324.384 2.203 50 30 DEEAMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000023451086 182361507 /nfs/dbraw/zinc/36/15/07/182361507.db2.gz OISKMPXMIDFEML-UHFFFAOYSA-N 1 1 324.384 2.203 50 30 DEEAMO C=C(C)CNC(=S)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000040071330 183031406 /nfs/dbraw/zinc/03/14/06/183031406.db2.gz UVSZYKJJPIIRGE-CQSZACIVSA-N 1 1 303.475 2.473 50 30 DEEAMO C[N@H+]1CCCN(c2oc(-c3ccccc3F)nc2C#N)CC1 ZINC000334163212 257262486 /nfs/dbraw/zinc/26/24/86/257262486.db2.gz WWPBJJSNNHCGIZ-UHFFFAOYSA-N 1 1 300.337 2.494 50 30 DEEAMO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000012758559 401791199 /nfs/dbraw/zinc/79/11/99/401791199.db2.gz QLFZEKQHMLISBS-HNNXBMFYSA-N 1 1 304.390 2.143 50 30 DEEAMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000012758559 401791202 /nfs/dbraw/zinc/79/12/02/401791202.db2.gz QLFZEKQHMLISBS-HNNXBMFYSA-N 1 1 304.390 2.143 50 30 DEEAMO C[N@@H+](CC#CCNC(=O)Cc1ccccc1)Cc1ccccc1 ZINC000085470615 401916887 /nfs/dbraw/zinc/91/68/87/401916887.db2.gz OPNWIWXAQIXIIO-UHFFFAOYSA-N 1 1 306.409 2.481 50 30 DEEAMO CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000052548092 402043722 /nfs/dbraw/zinc/04/37/22/402043722.db2.gz BZRJXZWIBDHANP-BBRMVZONSA-N 1 1 300.406 2.403 50 30 DEEAMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)CCC#N)C12CCCC2 ZINC000096419743 402082105 /nfs/dbraw/zinc/08/21/05/402082105.db2.gz METGOMVMJZDURX-LSDHHAIUSA-N 1 1 307.438 2.028 50 30 DEEAMO C[C@H]1C[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000071803229 402280086 /nfs/dbraw/zinc/28/00/86/402280086.db2.gz RALBTDQQFCNNTO-WMLDXEAASA-N 1 1 312.417 2.184 50 30 DEEAMO Cc1ccc([C@@H](C)[N@@H+](C)CCC(=O)N(CC#N)CC#N)s1 ZINC000058342387 525688681 /nfs/dbraw/zinc/68/86/81/525688681.db2.gz ITPBKALBIQBATD-CYBMUJFWSA-N 1 1 304.419 2.315 50 30 DEEAMO CCOc1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCCC2)cc1 ZINC000003414775 528431073 /nfs/dbraw/zinc/43/10/73/528431073.db2.gz WNXXMIYHDMBSNJ-UHFFFAOYSA-N 1 1 315.417 2.470 50 30 DEEAMO CCOc1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCCC2)cc1 ZINC000003414775 528431076 /nfs/dbraw/zinc/43/10/76/528431076.db2.gz WNXXMIYHDMBSNJ-UHFFFAOYSA-N 1 1 315.417 2.470 50 30 DEEAMO COCC[N@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000103605867 684058034 /nfs/dbraw/zinc/05/80/34/684058034.db2.gz DHJXIUUKJGRVPS-SFQUDFHCSA-N 1 1 302.418 2.445 50 30 DEEAMO COCC[N@@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000103605867 684058036 /nfs/dbraw/zinc/05/80/36/684058036.db2.gz DHJXIUUKJGRVPS-SFQUDFHCSA-N 1 1 302.418 2.445 50 30 DEEAMO C#CCCC1(CCC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)N=N1 ZINC000952879702 792793089 /nfs/dbraw/zinc/79/30/89/792793089.db2.gz ABJPAUZTSRKYTA-LSDHHAIUSA-N 1 1 302.422 2.285 50 30 DEEAMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(F)c(C#N)c1 ZINC000278768828 214387327 /nfs/dbraw/zinc/38/73/27/214387327.db2.gz WJSGBZNBZSLVFI-AWEZNQCLSA-N 1 1 317.408 2.382 50 30 DEEAMO C=CC[NH+]1CCN(c2nccc(-c3ccc(C)nc3C)n2)CC1 ZINC000071751513 191022810 /nfs/dbraw/zinc/02/28/10/191022810.db2.gz SCKUTMFLCROARM-UHFFFAOYSA-N 1 1 309.417 2.463 50 30 DEEAMO C[N@@H+](Cc1ccccc1)C1CCN(c2nccnc2C#N)CC1 ZINC000670439664 540933234 /nfs/dbraw/zinc/93/32/34/540933234.db2.gz PKTJWTFPYOJTBR-UHFFFAOYSA-N 1 1 307.401 2.449 50 30 DEEAMO CC(C)C[C@H](CNC(=O)c1ccc(C#N)cc1)[NH+]1CCOCC1 ZINC000022611747 182327982 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C=CCc1c(C)nc(N)nc1N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000095385381 402031200 /nfs/dbraw/zinc/03/12/00/402031200.db2.gz OCQDGJYCRPBFAT-LBPRGKRZSA-N 1 1 301.438 2.159 50 30 DEEAMO C=CCc1c(C)nc(N)nc1N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000095385381 402031201 /nfs/dbraw/zinc/03/12/01/402031201.db2.gz OCQDGJYCRPBFAT-LBPRGKRZSA-N 1 1 301.438 2.159 50 30 DEEAMO C#CCC[NH+]1CCN(C(=O)c2ccc(C)cc2SC)CC1 ZINC000096466311 402092632 /nfs/dbraw/zinc/09/26/32/402092632.db2.gz SCHYTHNNUDBKQQ-UHFFFAOYSA-N 1 1 302.443 2.498 50 30 DEEAMO C=CCC[C@@H](O)C[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000096473598 402092831 /nfs/dbraw/zinc/09/28/31/402092831.db2.gz UBZXLCKUKJEGDY-OAHLLOKOSA-N 1 1 314.433 2.402 50 30 DEEAMO Cc1ccc(O)c(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n1 ZINC000096489671 402095930 /nfs/dbraw/zinc/09/59/30/402095930.db2.gz PTRYEOUOQSKUDE-UHFFFAOYSA-N 1 1 323.400 2.075 50 30 DEEAMO CC[N@@H+](CCC(=O)N(CC#N)CC#N)[C@H](C)c1ccc(F)cc1 ZINC000058342398 402100499 /nfs/dbraw/zinc/10/04/99/402100499.db2.gz 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DEEAMO C=CCn1cc(C[NH+]2CCN(c3ncccc3C)CC2)c(C)n1 ZINC000067757750 534452246 /nfs/dbraw/zinc/45/22/46/534452246.db2.gz BEOGUJIMOMKERT-UHFFFAOYSA-N 1 1 311.433 2.403 50 30 DEEAMO C=C(C)COc1ccc(NC(=O)CN2CCC[N@H+](C)CC2)cc1 ZINC000952972506 792830823 /nfs/dbraw/zinc/83/08/23/792830823.db2.gz UZPMGJTTZSSXMT-UHFFFAOYSA-N 1 1 317.433 2.218 50 30 DEEAMO CCC#CC[N@H+]1CCC[C@H](CNC(=O)c2oc(C)nc2C)C1 ZINC000822523055 1090635411 /nfs/dbraw/zinc/63/54/11/1090635411.db2.gz OFOLDGRKSQXXNS-OAHLLOKOSA-N 1 1 303.406 2.147 50 30 DEEAMO Cc1[nH]c(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1C#N ZINC000584884506 357325098 /nfs/dbraw/zinc/32/50/98/357325098.db2.gz YOUGGUZTKQEYME-AWEZNQCLSA-N 1 1 300.406 2.029 50 30 DEEAMO N#Cc1ccc(CC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000600103021 359648408 /nfs/dbraw/zinc/64/84/08/359648408.db2.gz RQYSLPGSPHQFFD-INIZCTEOSA-N 1 1 312.417 2.019 50 30 DEEAMO CC(C)=CC[N@H+]1CCN(CC#Cc2ccccc2)C[C@H]1CCO ZINC000104515599 194013217 /nfs/dbraw/zinc/01/32/17/194013217.db2.gz 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CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)CCC#N)C12CCCC2 ZINC000096419745 286245271 /nfs/dbraw/zinc/24/52/71/286245271.db2.gz METGOMVMJZDURX-HUUCEWRRSA-N 1 1 307.438 2.028 50 30 DEEAMO CC[N@@H+](CC(=O)N1CCO[C@H](C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000106825013 276311973 /nfs/dbraw/zinc/31/19/73/276311973.db2.gz ZBTSRWHHXHXDLC-HUUCEWRRSA-N 1 1 315.417 2.188 50 30 DEEAMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ncccc2C#N)C[C@H](C)O1 ZINC000195570846 288204985 /nfs/dbraw/zinc/20/49/85/288204985.db2.gz SOWXSXGEIDOUSK-IJEWVQPXSA-N 1 1 300.406 2.031 50 30 DEEAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ncccc2C#N)C[C@H](C)O1 ZINC000195570846 288204988 /nfs/dbraw/zinc/20/49/88/288204988.db2.gz SOWXSXGEIDOUSK-IJEWVQPXSA-N 1 1 300.406 2.031 50 30 DEEAMO CC(C)C[N@H+](CCC#N)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711775 519714780 /nfs/dbraw/zinc/71/47/80/519714780.db2.gz NRTDQJBSEOISPW-HNNXBMFYSA-N 1 1 321.377 2.206 50 30 DEEAMO CC(C)C[N@@H+](CCC#N)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026711775 519714782 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CN(C)/C=C(\CCN1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1 ZINC000020218654 257268777 /nfs/dbraw/zinc/26/87/77/257268777.db2.gz PHPKLMSVIAUEIQ-JQIJEIRASA-N 1 1 319.424 2.091 50 30 DEEAMO COc1cccc(-c2c(C#N)c(N)nc3c2C[N@@H+](C)CC3)c1OC ZINC000018222902 401821795 /nfs/dbraw/zinc/82/17/95/401821795.db2.gz YPGKHYUMOTTXCQ-UHFFFAOYSA-N 1 1 324.384 2.208 50 30 DEEAMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1CCCO ZINC000077655398 401823836 /nfs/dbraw/zinc/82/38/36/401823836.db2.gz CBWQFLXGPQRXSJ-HNNXBMFYSA-N 1 1 304.390 2.183 50 30 DEEAMO C#CCN1CC[NH+](C[C@@H]2CO[C@@H](c3ccc(Cl)cc3)O2)CC1 ZINC000095992678 402044171 /nfs/dbraw/zinc/04/41/71/402044171.db2.gz QDRYXSBMYYDPNT-IAGOWNOFSA-N 1 1 320.820 2.005 50 30 DEEAMO C[C@@H]1CCN(c2nccnc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000096429855 402085024 /nfs/dbraw/zinc/08/50/24/402085024.db2.gz JEFUWMBAPDRELD-OAHLLOKOSA-N 1 1 307.401 2.449 50 30 DEEAMO C#CCC[NH+]1CCN(C(=O)c2nc(C)oc2-c2ccccc2)CC1 ZINC000097115478 402109824 /nfs/dbraw/zinc/10/98/24/402109824.db2.gz KLHUSAXMIOVAQJ-UHFFFAOYSA-N 1 1 323.396 2.431 50 30 DEEAMO COCC[NH+](CCOC)Cc1cc(Cl)ccc1OCC#N ZINC000069979576 402254091 /nfs/dbraw/zinc/25/40/91/402254091.db2.gz NNJGXSRXMQMQHX-UHFFFAOYSA-N 1 1 312.797 2.337 50 30 DEEAMO N#Cc1c[nH]c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000175566412 402817858 /nfs/dbraw/zinc/81/78/58/402817858.db2.gz OBVCRGWHDOOABP-MRXNPFEDSA-N 1 1 322.412 2.181 50 30 DEEAMO COc1ccc(C(=[NH2+])NOC(=O)C2CCCCC2)cc1OC ZINC000015974679 523368042 /nfs/dbraw/zinc/36/80/42/523368042.db2.gz OLTPPLYHNPDGJY-UHFFFAOYSA-N 1 1 306.362 2.448 50 30 DEEAMO C[C@H](CNC(=O)Nc1ccc(C#N)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000031663901 354138928 /nfs/dbraw/zinc/13/89/28/354138928.db2.gz KHKGZFCAQZUPGU-MGPQQGTHSA-N 1 1 316.405 2.177 50 30 DEEAMO CC[NH+]1CCN(c2oc(-c3ccc(OC)cc3)nc2C#N)CC1 ZINC000004223030 181086528 /nfs/dbraw/zinc/08/65/28/181086528.db2.gz UMVKJGUHUYFWKN-UHFFFAOYSA-N 1 1 312.373 2.364 50 30 DEEAMO C[C@@H]1C[NH+](CCOCCOc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000020639668 182240562 /nfs/dbraw/zinc/24/05/62/182240562.db2.gz AEAPCTLHARUWHE-HUUCEWRRSA-N 1 1 304.390 2.063 50 30 DEEAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000010897349 401772404 /nfs/dbraw/zinc/77/24/04/401772404.db2.gz DBGNIPISXIKCRE-ZIAGYGMSSA-N 1 1 310.401 2.398 50 30 DEEAMO CCC[N@H+]1CCCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083172026 401900428 /nfs/dbraw/zinc/90/04/28/401900428.db2.gz ZALFMGPKMWTUNG-KRWDZBQOSA-N 1 1 315.417 2.190 50 30 DEEAMO CN(CCC#N)C(=O)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000052450851 402042128 /nfs/dbraw/zinc/04/21/28/402042128.db2.gz MFFMISIOFAOOIV-UHFFFAOYSA-N 1 1 323.824 2.413 50 30 DEEAMO C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C#N)cc1F ZINC000069700359 402239213 /nfs/dbraw/zinc/23/92/13/402239213.db2.gz RZPNNFZLVJLIMM-ZDUSSCGKSA-N 1 1 318.396 2.371 50 30 DEEAMO C[C@H]1C[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000071803227 402280052 /nfs/dbraw/zinc/28/00/52/402280052.db2.gz RALBTDQQFCNNTO-YOEHRIQHSA-N 1 1 312.417 2.184 50 30 DEEAMO N#Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)c1 ZINC000218651220 402296165 /nfs/dbraw/zinc/29/61/65/402296165.db2.gz YLZPCRJCFLTZFU-UHFFFAOYSA-N 1 1 320.396 2.301 50 30 DEEAMO N#Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)c1 ZINC000218651220 402296169 /nfs/dbraw/zinc/29/61/69/402296169.db2.gz YLZPCRJCFLTZFU-UHFFFAOYSA-N 1 1 320.396 2.301 50 30 DEEAMO N#Cc1c(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)nc2ccccn12 ZINC000252512639 424888470 /nfs/dbraw/zinc/88/84/70/424888470.db2.gz UCNKPADFFWOSES-KKUMJFAQSA-N 1 1 307.401 2.126 50 30 DEEAMO C[N@H+]1CCO[C@@H]2CN(c3ccc(C(F)(F)F)c(C#N)c3)C[C@H]21 ZINC000108397569 277124588 /nfs/dbraw/zinc/12/45/88/277124588.db2.gz GIXIBSFKMZFZIC-ZIAGYGMSSA-N 1 1 311.307 2.096 50 30 DEEAMO CN1CCN(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1=O ZINC000075131489 500777539 /nfs/dbraw/zinc/77/75/39/500777539.db2.gz QOTBHLMNOVLCKQ-UHFFFAOYSA-N 1 1 316.380 2.029 50 30 DEEAMO C=CCOC[C@@H](O)C[N@H+](Cc1cc(OC)cc(OC)c1)C1CC1 ZINC000036095122 518989479 /nfs/dbraw/zinc/98/94/79/518989479.db2.gz IUVODIFKVRRUGL-INIZCTEOSA-N 1 1 321.417 2.232 50 30 DEEAMO CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC000091255837 524003533 /nfs/dbraw/zinc/00/35/33/524003533.db2.gz PNBJIMGENKQBSL-IAGOWNOFSA-N 1 1 312.417 2.136 50 30 DEEAMO CN(c1nccnc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080607638 192171695 /nfs/dbraw/zinc/17/16/95/192171695.db2.gz RQVDFIIKURTOES-INIZCTEOSA-N 1 1 307.401 2.449 50 30 DEEAMO OCC#Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000071764879 191028183 /nfs/dbraw/zinc/02/81/83/191028183.db2.gz TZDQAEHKKLVOHX-UHFFFAOYSA-N 1 1 312.457 2.481 50 30 DEEAMO CCn1cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1C#N ZINC000077519352 401818658 /nfs/dbraw/zinc/81/86/58/401818658.db2.gz VTWAWOVYUCPBCG-QGZVFWFLSA-N 1 1 316.449 2.066 50 30 DEEAMO N#Cc1cccnc1N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000095970999 402039084 /nfs/dbraw/zinc/03/90/84/402039084.db2.gz WDVGZNPCJBTETF-QZTJIDSGSA-N 1 1 322.412 2.248 50 30 DEEAMO C#CC[N@@H+](CC(=O)NCC(F)(F)F)[C@H]1CCc2ccccc21 ZINC000052845777 402047823 /nfs/dbraw/zinc/04/78/23/402047823.db2.gz DCNFMGOMKIQVRK-AWEZNQCLSA-N 1 1 310.319 2.288 50 30 DEEAMO C#CC[N@H+](CC(=O)NCC(F)(F)F)[C@H]1CCc2ccccc21 ZINC000052845777 402047826 /nfs/dbraw/zinc/04/78/26/402047826.db2.gz DCNFMGOMKIQVRK-AWEZNQCLSA-N 1 1 310.319 2.288 50 30 DEEAMO Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)nc2)[NH+](C)C)o1 ZINC000096159850 402063218 /nfs/dbraw/zinc/06/32/18/402063218.db2.gz BXOLELYALVWCPE-AWEZNQCLSA-N 1 1 313.361 2.279 50 30 DEEAMO C[C@@H]1C[N@H+](C2CCN(c3cccc(F)c3C#N)CC2)CCO1 ZINC000069442774 402224070 /nfs/dbraw/zinc/22/40/70/402224070.db2.gz GJWKRVNHRFBCDP-CYBMUJFWSA-N 1 1 303.381 2.387 50 30 DEEAMO N#Cc1ccc(N2CC[NH+](C[C@@H]3CCCCO3)CC2)c(F)c1 ZINC000069590208 402233342 /nfs/dbraw/zinc/23/33/42/402233342.db2.gz LFKORCPWKGAQLM-HNNXBMFYSA-N 1 1 303.381 2.388 50 30 DEEAMO N#Cc1c(C[N@@H+]2CCCC[C@H]2Cn2cncn2)cn2ccccc12 ZINC000069702755 402240113 /nfs/dbraw/zinc/24/01/13/402240113.db2.gz MKAKFXKDGOCABL-INIZCTEOSA-N 1 1 320.400 2.457 50 30 DEEAMO N#Cc1c(C[N@H+]2CCCC[C@H]2Cn2cncn2)cn2ccccc12 ZINC000069702755 402240115 /nfs/dbraw/zinc/24/01/15/402240115.db2.gz MKAKFXKDGOCABL-INIZCTEOSA-N 1 1 320.400 2.457 50 30 DEEAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(C#N)c(C)n2)C1 ZINC000069921834 402251090 /nfs/dbraw/zinc/25/10/90/402251090.db2.gz CBMUXBXIUSVPEN-HNNXBMFYSA-N 1 1 309.373 2.244 50 30 DEEAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000229515114 402343262 /nfs/dbraw/zinc/34/32/62/402343262.db2.gz VYZJWRTXAXXBOV-HZPDHXFCSA-N 1 1 300.410 2.051 50 30 DEEAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@@H](C#N)CCC#N)C2)n1 ZINC000229515114 402343265 /nfs/dbraw/zinc/34/32/65/402343265.db2.gz VYZJWRTXAXXBOV-HZPDHXFCSA-N 1 1 300.410 2.051 50 30 DEEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245326574 402453309 /nfs/dbraw/zinc/45/33/09/402453309.db2.gz GDSNVLBXOJGIFI-ZWKOTPCHSA-N 1 1 323.408 2.370 50 30 DEEAMO N#Cc1cccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1 ZINC000411967807 404036596 /nfs/dbraw/zinc/03/65/96/404036596.db2.gz IOSDENINPLBVEL-IBGZPJMESA-N 1 1 305.381 2.187 50 30 DEEAMO C[N@@H+]1CC[C@@](C)(CNCc2ccc(C#CC(C)(C)O)s2)C1 ZINC000952965434 792812808 /nfs/dbraw/zinc/81/28/08/792812808.db2.gz DKSMHKJCBKCXTK-KRWDZBQOSA-N 1 1 306.475 2.302 50 30 DEEAMO C[N@H+]1CC[C@@](C)(CNCc2ccc(C#CC(C)(C)O)s2)C1 ZINC000952965434 792812824 /nfs/dbraw/zinc/81/28/24/792812824.db2.gz DKSMHKJCBKCXTK-KRWDZBQOSA-N 1 1 306.475 2.302 50 30 DEEAMO CN1CC[C@@](C)(C[NH2+]Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000952965434 792812837 /nfs/dbraw/zinc/81/28/37/792812837.db2.gz DKSMHKJCBKCXTK-KRWDZBQOSA-N 1 1 306.475 2.302 50 30 DEEAMO C#CCNC(=O)C[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000084630775 539397289 /nfs/dbraw/zinc/39/72/89/539397289.db2.gz QSVDJJLLCKSPMB-ZDUSSCGKSA-N 1 1 305.447 2.195 50 30 DEEAMO C#CCNC(=O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000084630775 539397293 /nfs/dbraw/zinc/39/72/93/539397293.db2.gz QSVDJJLLCKSPMB-ZDUSSCGKSA-N 1 1 305.447 2.195 50 30 DEEAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](CC#Cc2ccccc2)C1 ZINC000016037042 354035693 /nfs/dbraw/zinc/03/56/93/354035693.db2.gz IQHFPCLTINTZNG-ZWKOTPCHSA-N 1 1 304.393 2.319 50 30 biogenic DEEAMO N#Cc1cc(Br)ccc1NCC[N@H+]1CCCOCC1 ZINC000188497948 200255856 /nfs/dbraw/zinc/25/58/56/200255856.db2.gz WOROIFWJYANDEM-UHFFFAOYSA-N 1 1 324.222 2.455 50 30 DEEAMO CC(C)c1ccc(C#N)c(NCCC[N@H+]2CCC[C@H](O)C2)n1 ZINC000670437749 540933414 /nfs/dbraw/zinc/93/34/14/540933414.db2.gz BEPAATJIZZJDGR-HNNXBMFYSA-N 1 1 302.422 2.335 50 30 DEEAMO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)[NH+]1CCOCC1 ZINC000025046402 182399450 /nfs/dbraw/zinc/39/94/50/182399450.db2.gz HBOXYWHQNJLQML-INIZCTEOSA-N 1 1 318.377 2.235 50 30 DEEAMO CCCn1cc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000105792758 194128589 /nfs/dbraw/zinc/12/85/89/194128589.db2.gz NAHYUYIHUHMTPN-UHFFFAOYSA-N 1 1 324.432 2.272 50 30 DEEAMO CC[N@@H+]1CCc2ncnc(N(C)Cc3ccc(C#N)cc3)c2C1 ZINC000065492425 184354229 /nfs/dbraw/zinc/35/42/29/184354229.db2.gz MUJCPNUFDSWDLU-UHFFFAOYSA-N 1 1 307.401 2.363 50 30 DEEAMO CC[N@H+]1CCc2ncnc(N(C)Cc3ccc(C#N)cc3)c2C1 ZINC000065492425 184354231 /nfs/dbraw/zinc/35/42/31/184354231.db2.gz MUJCPNUFDSWDLU-UHFFFAOYSA-N 1 1 307.401 2.363 50 30 DEEAMO Cc1nc(C[N@@H+]2CC[C@H](CNc3ncccc3C#N)C2)oc1C ZINC000065531089 184361350 /nfs/dbraw/zinc/36/13/50/184361350.db2.gz QTOQGMUFBFICKC-CQSZACIVSA-N 1 1 311.389 2.492 50 30 DEEAMO Cc1nc(C[N@H+]2CC[C@H](CNc3ncccc3C#N)C2)oc1C ZINC000065531089 184361352 /nfs/dbraw/zinc/36/13/52/184361352.db2.gz QTOQGMUFBFICKC-CQSZACIVSA-N 1 1 311.389 2.492 50 30 DEEAMO Cc1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nc(C)[nH+]1 ZINC000032827766 401884350 /nfs/dbraw/zinc/88/43/50/401884350.db2.gz XAKPQOLNORXUJO-UHFFFAOYSA-N 1 1 324.388 2.157 50 30 DEEAMO COCC[N@H+]1CCN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C ZINC000089939245 401975714 /nfs/dbraw/zinc/97/57/14/401975714.db2.gz KFLONYSSPWSNIV-AWEZNQCLSA-N 1 1 310.401 2.263 50 30 DEEAMO CC(C)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000067956228 402180715 /nfs/dbraw/zinc/18/07/15/402180715.db2.gz ADCZGDFUKILONO-HNNXBMFYSA-N 1 1 314.433 2.478 50 30 DEEAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cc(C#N)c[nH]1 ZINC000215405131 402283172 /nfs/dbraw/zinc/28/31/72/402283172.db2.gz XDLFOUNKNJDGIZ-CYBMUJFWSA-N 1 1 308.385 2.063 50 30 DEEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839672 402286398 /nfs/dbraw/zinc/28/63/98/402286398.db2.gz YXFPHKVQJWOYKO-GOEBONIOSA-N 1 1 313.401 2.022 50 30 DEEAMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000071839672 402286399 /nfs/dbraw/zinc/28/63/99/402286399.db2.gz YXFPHKVQJWOYKO-GOEBONIOSA-N 1 1 313.401 2.022 50 30 DEEAMO N#Cc1cccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1 ZINC000411967808 404036701 /nfs/dbraw/zinc/03/67/01/404036701.db2.gz IOSDENINPLBVEL-LJQANCHMSA-N 1 1 305.381 2.187 50 30 DEEAMO C=C(Br)C[NH+]1CCC2(CC1)[C@H](O)C[C@H]2OCC ZINC000096421793 276854493 /nfs/dbraw/zinc/85/44/93/276854493.db2.gz BHVMXQLFSRAWKK-VXGBXAGGSA-N 1 1 304.228 2.147 50 30 DEEAMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)CC#N)C1 ZINC000075503992 279063985 /nfs/dbraw/zinc/06/39/85/279063985.db2.gz DPDCZUBSIBLIQW-RYUDHWBXSA-N 1 1 305.344 2.411 50 30 DEEAMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+]([C@@H](C)CC#N)C1 ZINC000075503992 279063987 /nfs/dbraw/zinc/06/39/87/279063987.db2.gz DPDCZUBSIBLIQW-RYUDHWBXSA-N 1 1 305.344 2.411 50 30 DEEAMO C=CCOC[C@H](O)C[N@H+](CCC)Cc1cccc(OC)c1OC ZINC000036097259 518992166 /nfs/dbraw/zinc/99/21/66/518992166.db2.gz YKJPGWWOYLGXPU-MRXNPFEDSA-N 1 1 323.433 2.479 50 30 DEEAMO N#CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000264240717 534584641 /nfs/dbraw/zinc/58/46/41/534584641.db2.gz HARTZZWHBFICBF-QGZVFWFLSA-N 1 1 312.417 2.206 50 30 DEEAMO COC(=O)CC[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCO1 ZINC000079354501 185166730 /nfs/dbraw/zinc/16/67/30/185166730.db2.gz JPKKESKRTXOJEE-HNNXBMFYSA-N 1 1 320.364 2.241 50 30 DEEAMO COC(=O)CC[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCO1 ZINC000079354501 185166731 /nfs/dbraw/zinc/16/67/31/185166731.db2.gz JPKKESKRTXOJEE-HNNXBMFYSA-N 1 1 320.364 2.241 50 30 DEEAMO CN(c1nccnc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080607635 192171126 /nfs/dbraw/zinc/17/11/26/192171126.db2.gz RQVDFIIKURTOES-MRXNPFEDSA-N 1 1 307.401 2.449 50 30 DEEAMO CC[NH+]1CCN(c2oc(-c3ccccc3F)nc2C#N)CC1 ZINC000004954845 181179037 /nfs/dbraw/zinc/17/90/37/181179037.db2.gz DSLVSNJVORPWCX-UHFFFAOYSA-N 1 1 300.337 2.494 50 30 DEEAMO CN(Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCC[N@H+]1C ZINC000670446873 540934659 /nfs/dbraw/zinc/93/46/59/540934659.db2.gz WGFOQAPQQAMCKR-GOSISDBHSA-N 1 1 300.446 2.335 50 30 DEEAMO CN1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#CC(C)(C)O)cc1 ZINC000670446873 540934662 /nfs/dbraw/zinc/93/46/62/540934662.db2.gz WGFOQAPQQAMCKR-GOSISDBHSA-N 1 1 300.446 2.335 50 30 DEEAMO CN1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#CC(C)(C)O)cc1 ZINC000670446873 540934665 /nfs/dbraw/zinc/93/46/65/540934665.db2.gz WGFOQAPQQAMCKR-GOSISDBHSA-N 1 1 300.446 2.335 50 30 DEEAMO COCCC[N@H+]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000065577912 184368161 /nfs/dbraw/zinc/36/81/61/184368161.db2.gz UDIBWYSGKPNVIA-UHFFFAOYSA-N 1 1 316.405 2.134 50 30 DEEAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000021049533 401825245 /nfs/dbraw/zinc/82/52/45/401825245.db2.gz KVUBJSVBQVXDBC-KBPBESRZSA-N 1 1 315.417 2.176 50 30 DEEAMO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)c1 ZINC000121216259 402021083 /nfs/dbraw/zinc/02/10/83/402021083.db2.gz XVVHJAKGCYEAIZ-CQSZACIVSA-N 1 1 314.307 2.325 50 30 DEEAMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCN(C(=O)COC)CC2)CC1 ZINC000065421603 402124938 /nfs/dbraw/zinc/12/49/38/402124938.db2.gz KEMMQMFTELGYLK-QGZVFWFLSA-N 1 1 306.450 2.470 50 30 DEEAMO N#Cc1ccccc1OCC[N@H+]1CCCC[C@H]1Cn1cncn1 ZINC000069629846 402235721 /nfs/dbraw/zinc/23/57/21/402235721.db2.gz LAPSSBWNQIUWNI-INIZCTEOSA-N 1 1 311.389 2.083 50 30 DEEAMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000071793321 402278088 /nfs/dbraw/zinc/27/80/88/402278088.db2.gz UNAJYCKWVVYZLT-HNNXBMFYSA-N 1 1 314.410 2.418 50 30 DEEAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC000299781137 403573339 /nfs/dbraw/zinc/57/33/39/403573339.db2.gz CKJJLEDKNYDDCA-HNNXBMFYSA-N 1 1 300.406 2.034 50 30 DEEAMO N#Cc1cnn2cc(-c3cccc(C[NH+]4CCOCC4)c3)cnc12 ZINC000426693923 405374983 /nfs/dbraw/zinc/37/49/83/405374983.db2.gz XYFMADMZFWMGBC-UHFFFAOYSA-N 1 1 319.368 2.100 50 30 DEEAMO C=CCNC(=O)[C@H](C)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000032892862 518923073 /nfs/dbraw/zinc/92/30/73/518923073.db2.gz BLVQYMHNEMTTAU-KRWDZBQOSA-N 1 1 315.461 2.193 50 30 DEEAMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CC[NH+](C)CC1 ZINC000089279713 647177067 /nfs/dbraw/zinc/17/70/67/647177067.db2.gz KEWQZVLFZPOBPD-QGOAFFKASA-N 1 1 313.445 2.114 50 30 DEEAMO